Fumaric Acid

Fumaric Acid

SCHEMBL1833276

CNCc1cn(S(=O)(=O)c2ncccc2C)c(-c2cccnc2F)c1F.O=C(O)C=CC(=O)O

nearest known ligand 0.32

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
KMT2A known ✓ Q03164 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.31
NAMPT P43490 1/20 0.31
DHODH Q02127 1/20 0.30
LMNA P02545 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 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 SCHEMBL1833270 1.00 GAA (0.32) GAAKMT2ACYP2C9NAMPTDHODH
SCHEMBL1580993 0.93 OPRM1 (0.31)
Fumaric Acid SCHEMBL1830756 0.88 DCTPP1 (0.33) CYP2C9NAMPTDHODHLMNARECQL
Fumaric Acid SCHEMBL1830751 0.88 DCTPP1 (0.33) CYP2C9NAMPTDHODHLMNARECQL
Fumaric Acid SCHEMBL1834845 0.86 NAMPT (0.34) CYP2C9NAMPT
Fumaric Acid SCHEMBL1834848 0.86 NAMPT (0.34) CYP2C9NAMPT
Fumaric Acid SCHEMBL1832005 0.85 ELANE (0.30)
Fumaric Acid SCHEMBL1832012 0.85 ELANE (0.30)
Fumaric Acid SCHEMBL1581034 0.85 KAT5 (0.34) CYP2C9NAMPT
Fumaric Acid SCHEMBL1581031 0.85 KAT5 (0.34) CYP2C9NAMPT

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 KMT2A 3186/4885GAA 4169/4885CYP2C9 121/4885
US-20140031393-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S KMT2A 3186/4885GAA 4169/4885CYP2C9 121/4885
US-20110172275-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S KMT2A 3186/4885GAA 4169/4885CYP2C9 121/4885

“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.