Fumaric Acid

Fumaric Acid

SCHEMBL3692243

CNCc1cc(S(=O)(=O)c2ccc(C)nc2)n(-c2cc(C)ccc2F)n1.O=C(O)C=CC(=O)O

nearest known ligand 0.35

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 8)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 4/20 0.32
SLC6A4 known ✓ P31645 4/20 0.32
HTR2A known ✓ P28223 3/20 0.31
NAMPT P43490 13/20 0.35
CYP2C9 P11712 1/20 0.32
PTGS2 P35354 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31

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 SCHEMBL3692238 1.00 NAMPT (0.35) NAMPTHTR2CSLC6A4CYP2C9PTGS2
Fumaric Acid SCHEMBL4131511 0.93 NAMPT (0.35) NAMPTHTR2CSLC6A4CYP2C9PTGS2
Fumaric Acid SCHEMBL4131498 0.93 NAMPT (0.35) NAMPTHTR2CSLC6A4CYP2C9PTGS2
Fumaric Acid SCHEMBL4126776 0.90 NAMPT (0.35) NAMPTCYP2C9PTGS2ALDH1A1
Fumaric Acid SCHEMBL4126782 0.90 NAMPT (0.35) NAMPTCYP2C9PTGS2ALDH1A1
Fumaric Acid SCHEMBL3702866 0.88 NR2F2 (0.36) NAMPTCYP2C9PTGS2HTR2AALDH1A1
Fumaric Acid SCHEMBL3702871 0.88 NR2F2 (0.36) NAMPTCYP2C9PTGS2HTR2AALDH1A1
Fumaric Acid SCHEMBL3704597 0.88 NAMPT (0.35) NAMPTCYP2C9PTGS2
Fumaric Acid SCHEMBL3704601 0.88 NAMPT (0.35) NAMPTCYP2C9PTGS2
Fumaric Acid SCHEMBL4126459 0.87 NAMPT (0.35) NAMPTCYP2C9PTGS2

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 5 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
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO 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 HTR2C 2565/4885SLC6A4 3372/4885HTR2A 3643/4885

“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.