Fumaric Acid

Fumaric Acid

SCHEMBL1834053

CNCc1cn(S(=O)(=O)c2cncc(C)c2)c(-c2cccnc2F)c1F.O=C(O)/C=C/C(=O)O

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

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
NAMPT P43490 6/20 0.35
CYP2C9 P11712 3/20 0.31
GRM4 Q14833 1/20 0.30
KAT5 Q92993 1/20 0.30
KAT8 Q9H7Z6 1/20 0.30
RORC P51449 1/20 0.30
BRD4 O60885 1/20 0.30

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 SCHEMBL1834059 1.00 NAMPT (0.35) NAMPTCYP2C9GRM4KAT5KAT8
SCHEMBL1831300 0.93 NAMPT (0.32) NAMPTCYP2C9
Fumaric Acid SCHEMBL1581034 0.90 KAT5 (0.34) NAMPTCYP2C9KAT5KAT8
Fumaric Acid SCHEMBL1581031 0.90 KAT5 (0.34) NAMPTCYP2C9KAT5KAT8
SCHEMBL1832810 0.85 NAMPT (0.35) NAMPTKAT5KAT8
Fumaric Acid SCHEMBL1832012 0.85 ELANE (0.30)
Fumaric Acid SCHEMBL1832005 0.85 ELANE (0.30)
Succinic Acid SCHEMBL1831567 0.85 NAMPT (0.35) NAMPTCYP2C9KAT5KAT8BRD4
Fumaric Acid SCHEMBL1830756 0.85 DCTPP1 (0.33) NAMPTCYP2C9GRM4
Fumaric Acid SCHEMBL1830751 0.85 DCTPP1 (0.33) NAMPTCYP2C9GRM4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993598-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-31 US disclosed
US-8969387-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-03 US disclosed
US-20140031393-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-30 US disclosed
US-8592597-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
EP-2318390-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-05-01 EP disclosed
US-20110172275-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
EP-2318390-A1 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2011-05-11 EP disclosed
WO-2010024451-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 WO disclosed
US-20100056577-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 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 (3 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-20100056577-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S NAMPT 1814/4885CYP2C9 121/4885GRM4 2678/4885
US-20140031393-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S NAMPT 1814/4885CYP2C9 121/4885GRM4 2678/4885
US-20110172275-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S NAMPT 1814/4885CYP2C9 121/4885GRM4 2678/4885

“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.