Fumaric Acid

Fumaric Acid

SCHEMBL6895907

O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCNCC1)N(CCS)CCc1ccccc1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.41

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 14)

geneUniProtsupporting neighboursconfidence
KMT2A known ✓ Q03164 2/20 0.40
MEN1 known ✓ O00255 1/20 0.38
CYP51A1 Q16850 4/20 0.41
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 2/20 0.39
FPR2 P25090 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ACE2 Q9BYF1 1/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
PYGL P06737 1/20 0.37
MC4R P32245 1/20 0.37

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 SCHEMBL6895910 1.00 CYP51A1 (0.41) CYP51A1KDM4EHSD17B10CYP3A4KMT2A
Fumaric Acid SCHEMBL27560048 1.00 CYP51A1 (0.41) CYP51A1KDM4EHSD17B10CYP3A4KMT2A
SCHEMBL27560017 0.95 CYP51A1 (0.44) CYP51A1KDM4EHSD17B10KMT2AALDH1A1
SCHEMBL6890161 0.95 CYP51A1 (0.44) CYP51A1KDM4EHSD17B10KMT2AALDH1A1
Fumaric Acid SCHEMBL6897338 0.89 CTSL (0.46) HSD17B10CYP3A4KMT2AALDH1A1SMN1; SMN2
Fumaric Acid SCHEMBL6897339 0.89 CTSL (0.46) HSD17B10CYP3A4KMT2AALDH1A1SMN1; SMN2
Fumaric Acid SCHEMBL27541785 0.89 CTSL (0.46) HSD17B10CYP3A4KMT2AALDH1A1SMN1; SMN2
SCHEMBL6897188 0.84 HSD17B10 (0.50) HSD17B10CYP3A4KMT2AALDH1A1SMN1; SMN2
SCHEMBL6897330 0.77 HSD17B10 (0.46) KDM4EHSD17B10CYP3A4KMT2AALDH1A1
SCHEMBL6899205 0.77 LPAR1 (0.52) ACE2

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
US-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP 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-20020198376-A1 Novel urea derivatives TNF, CTH, CFH KMT2A 4759/4885MEN1 4882/4885CYP51A1 2619/4885

“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.