Fumaric Acid

Fumaric Acid

SCHEMBL4126500

CNCc1cc(S(=O)(=O)c2cccnc2)n(-c2cc(F)ccc2C)n1.O=C(O)C=CC(=O)O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN known ✓ P00797 1/20 0.37
NAMPT P43490 17/20 0.41
FPR1 P21462 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Fumaric Acid SCHEMBL4126491 1.00 NAMPT (0.41) NAMPTRENFPR1PTGDR2
Fumaric Acid SCHEMBL3702430 0.92 NAMPT (0.37) NAMPTREN
Fumaric Acid SCHEMBL3702425 0.92 NAMPT (0.37) NAMPTREN
Fumaric Acid SCHEMBL3701699 0.91 NAMPT (0.37) NAMPTPTGDR2
Fumaric Acid SCHEMBL3701692 0.91 NAMPT (0.37) NAMPTPTGDR2
Fumaric Acid SCHEMBL3702664 0.91 FPR1 (0.38) NAMPTRENFPR1PTGDR2
Fumaric Acid SCHEMBL3702665 0.90 NAMPT (0.36) NAMPTRENFPR1PTGDR2
Fumaric Acid SCHEMBL4130340 0.89 NAMPT (0.36) NAMPTRENPTGDR2
Fumaric Acid SCHEMBL4130333 0.89 NAMPT (0.36) NAMPTRENPTGDR2
Fumaric Acid SCHEMBL3702663 0.89 NAMPT (0.35) NAMPTRENFPR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 REN 1158/4885NAMPT 2129/4885FPR1 1412/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.