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AMR Drug RepurposingSmart Screeningresearch prototype

Siponimod

FDA-approved product (tablet, oral), marketed as Mayzent, Siponimod.

Registered studies
33
Lab records
0
Pathogens at ≥40%
3 of 4

Chemical structure

Chemical structure of Siponimod
A drawing shows what the molecule is, not what it does.

Existing / approved use

Documented · FDA, WHO, ChEMBL

Approved for

  • Multiple sclerosis

Indications ChEMBL records as approved, from FDA and DailyMed labels. Label ↗

WHO therapeutic group
Sphingosine-1-phosphate (s1p) receptor modulators
FDA pharmacologic class
Sphingosine 1-phosphate Receptor Modulator FDA label ↗
Anti-infective classification
Not classified as an anti-infective.

Repurposing investigation

This medicine is being investigated here for AI-predicted antimicrobial activity against MRSA, E. coli and M. tuberculosis. It was surfaced computationally for further investigation; it is not an established treatment for these infections.

AI-predicted activity

AI prediction · nothing measured
  • MRSA55.7% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • E. coli53.6% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae34.0% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis62.6% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.

A model’s estimate of laboratory activity against each pathogen species. It is not clinical effectiveness.

Evidence

Clinical and experimental

Documented evidence

Clinical

33registered studies name this medicine, for any condition. See them below.

Experimental

No evidence found

No laboratory measurement against the four pathogens in the ChEMBL records loaded here.

Open Siponimod in ChEMBL Registered studies below

Docking

Computational · nothing measured

Dihydrofolate reductase ↗ (E. coli)

Not yet docked: queued in the docking rundetails

KPC-2 carbapenemase ↗ (K. pneumoniae)

Not yet docked: queued in the docking rundetails

Enoyl-ACP reductase (InhA) ↗ (M. tuberculosis)

Not yet docked: queued in the docking rundetails

Dihydrofolate reductase ↗ (MRSA)

Not yet docked: queued in the docking rundetails

AutoDock Vina, one experimentally solved protein per pathogen. This project’s screening target is -7.0 kcal/mol, its own mark rather than a universal cutoff. A docking score is a structural hypothesis, not proof of binding, and requires experimental validation.

Other medicines to investigate

AI prediction · nothing measured

Other repurposing candidates: approved medicines besides Siponimod with AI-predicted activity ≥40% against the chosen pathogen, leaving out existing antimicrobials. They are computational candidates for further investigation, not alternatives and not recommendations.

Sorted by AI-predicted activity, high to low. The order is not a ranking of which medicine is better.

Registered studies

A registration describes a study; it does not establish a positive result.

  • Single Dose Study to Assess the Safety, Tolerability, Concentration in Body and Effect of BAF312

    NCT00422175 · start 2006-10

    Registered record
    Registry ID
    NCT00422175
    Conditions
    Healthy
    Interventions
    BAF 312
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2006-10
    Completion
    2007-11
    Enrolment
    63

    As stored from ClinicalTrials.gov. Registration describes a study; it does not mean the study worked.

    ConditionHealthy
    InterventionBAF 312
    PhasePhase 1
    Registry statusCompleted

  • Determinants of Warfarin Metabolism

    NCT00162474 · start 2003-09

    Registered record
    Registry ID
    NCT00162474
    Conditions
    Healthy
    Interventions
    Warfarin; Phenytoin; Losartan & Hydrochlorothiazide; Flurbiprofen; Siponimod; Dicloxacillin
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Recruiting
    Start
    2003-09
    Completion
    2030-12
    Enrolment
    1,000

    As stored from ClinicalTrials.gov. Registration describes a study; it does not mean the study worked.

    ConditionHealthy
    InterventionWarfarin; Phenytoin; Losartan & Hydrochlorothiazide; Flurbiprofen +2 more
    PhaseNot applicable
    Registry statusRecruiting

  • Managed Access Program (MAP) for Patients Diagnosed With Secondary Progressive Multiple Sclerosis With Active Disease

    NCT04540861

    Registered record
    Registry ID
    NCT04540861
    Conditions
    Multiple Sclerosis
    Interventions
    Siponimod
    Study type
    EXPANDED_ACCESS
    Phase
    Not recorded
    Registry status
    No longer available
    Start
    Not recorded
    Completion
    Not recorded
    Enrolment
    Not recorded

    As stored from ClinicalTrials.gov. Registration describes a study; it does not mean the study worked.

    ConditionMultiple Sclerosis
    InterventionSiponimod
    PhaseNot recorded
    Registry statusNo longer available