Fumaric Acid

Fumaric Acid

SCHEMBL3705828

CNCc1cc(S(=O)(=O)c2ccc(C)nc2)n(-c2cc(F)ccc2Cl)n1.O=C(O)C=CC(=O)O

nearest known ligand 0.36

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 13)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 4/20 0.33
SLC6A4 known ✓ P31645 4/20 0.33
HTR2A known ✓ P28223 3/20 0.33
P2RX7 Q99572 4/20 0.36
NAMPT P43490 7/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2C9 P11712 1/20 0.31
TRPA1 O75762 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 SCHEMBL3705824 1.00 P2RX7 (0.36) P2RX7NAMPTHTR2CSLC6A4HTR2A
Fumaric Acid SCHEMBL4131511 0.92 NAMPT (0.35) P2RX7NAMPTHTR2CSLC6A4HTR2A
Fumaric Acid SCHEMBL4130340 0.92 NAMPT (0.36) P2RX7NAMPTSLC6A4PTGDR2CYP2C9
Fumaric Acid SCHEMBL4130333 0.92 NAMPT (0.36) P2RX7NAMPTSLC6A4PTGDR2CYP2C9
Fumaric Acid SCHEMBL4131498 0.92 NAMPT (0.35) P2RX7NAMPTHTR2CSLC6A4HTR2A
Fumaric Acid SCHEMBL3702866 0.90 NR2F2 (0.36) P2RX7NAMPTHTR2AALDH1A1CYP2C9
Fumaric Acid SCHEMBL3702871 0.90 NR2F2 (0.36) P2RX7NAMPTHTR2AALDH1A1CYP2C9
Fumaric Acid SCHEMBL4131318 0.89 NAMPT (0.35) NAMPTSLC6A4ALDH1A1SMN1; SMN2CYP2C9
Fumaric Acid SCHEMBL4131328 0.89 NAMPT (0.35) NAMPTSLC6A4ALDH1A1SMN1; SMN2CYP2C9
Fumaric Acid SCHEMBL3701692 0.88 NAMPT (0.37) P2RX7NAMPTPTGDR2

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.