Fumaric Acid

Fumaric Acid

SCHEMBL4130333

CNCc1cc(S(=O)(=O)c2ccc(C)nc2)n(-c2cc(F)ccc2C)n1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.36

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Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

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 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 1/20 0.33
REN known ✓ P00797 1/20 0.32
NAMPT P43490 14/20 0.36
P2RX7 Q99572 1/20 0.32
CYP2C9 P11712 1/20 0.32
PTGS2 P35354 1/20 0.31
PTGDR2 Q9Y5Y4 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 SCHEMBL4130340 1.00 NAMPT (0.36) NAMPTSLC6A4P2RX7RENCYP2C9
Fumaric Acid SCHEMBL4131498 0.93 NAMPT (0.35) NAMPTSLC6A4P2RX7CYP2C9PTGS2
Fumaric Acid SCHEMBL4131511 0.93 NAMPT (0.35) NAMPTSLC6A4P2RX7CYP2C9PTGS2
Fumaric Acid SCHEMBL3705828 0.92 P2RX7 (0.36) NAMPTSLC6A4P2RX7CYP2C9PTGDR2
Fumaric Acid SCHEMBL3705824 0.92 P2RX7 (0.36) NAMPTSLC6A4P2RX7CYP2C9PTGDR2
Fumaric Acid SCHEMBL3702866 0.91 NR2F2 (0.36) NAMPTP2RX7CYP2C9PTGS2
Fumaric Acid SCHEMBL3702871 0.91 NR2F2 (0.36) NAMPTP2RX7CYP2C9PTGS2
Fumaric Acid SCHEMBL4126491 0.89 NAMPT (0.41) NAMPTRENPTGDR2
Fumaric Acid SCHEMBL4126500 0.89 NAMPT (0.41) NAMPTRENPTGDR2
Fumaric Acid SCHEMBL3704583 0.89 NAMPT (0.36) NAMPTSLC6A4CYP2C9

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 SLC6A4 3372/4885REN 1158/4885NAMPT 2129/4885

“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.