Fumaric Acid

Fumaric Acid

SCHEMBL6897339

CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)N(CCS)CCc2ccccc2)CC1.O=C(O)C=CC(=O)O

nearest known ligand 0.46

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 12)

geneUniProtsupporting neighboursconfidence
KMT2A known ✓ Q03164 2/20 0.42
MEN1 known ✓ O00255 1/20 0.42
CTSL P07711 2/20 0.46
HSD17B10 Q99714 1/20 0.46
CHRM1 P11229 3/20 0.45
CYP3A4 P08684 1/20 0.45
UGCG Q16739 1/20 0.45
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
AVPR1A P37288 1/20 0.41

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 SCHEMBL27541785 1.00 CTSL (0.46) CTSLHSD17B10CHRM1CYP3A4UGCG
Fumaric Acid SCHEMBL6897338 1.00 CTSL (0.46) CTSLHSD17B10CHRM1CYP3A4UGCG
SCHEMBL6897188 0.95 HSD17B10 (0.50) CTSLHSD17B10CHRM1CYP3A4UGCG
SCHEMBL6897330 0.89 HSD17B10 (0.46) CTSLHSD17B10CHRM1CYP3A4UGCG
Fumaric Acid SCHEMBL27560048 0.89 CYP51A1 (0.41) HSD17B10CYP3A4ALDH1A1SMN1; SMN2KMT2A
Fumaric Acid SCHEMBL6895907 0.89 CYP51A1 (0.41) HSD17B10CYP3A4ALDH1A1SMN1; SMN2KMT2A
Fumaric Acid SCHEMBL6895910 0.89 CYP51A1 (0.41) HSD17B10CYP3A4ALDH1A1SMN1; SMN2KMT2A
Fumaric Acid SCHEMBL6895604 0.88 CTSL (0.45) CTSLHSD17B10CHRM1CYP3A4UGCG
Fumaric Acid SCHEMBL6895606 0.88 CTSL (0.45) CTSLHSD17B10CHRM1CYP3A4UGCG
SCHEMBL6893728 0.88 CCR1 (0.46) CTSLHSD17B10CHRM1CYP3A4UGCG

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 4 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
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 4882/4885CTSL 869/4885

“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.