Fumaric Acid

Fumaric Acid

SCHEMBL6895604

CC(=O)SCCN(CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C)CC1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.45

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 12)

geneUniProtsupporting neighboursconfidence
KMT2A known ✓ Q03164 2/20 0.40
MEN1 known ✓ O00255 1/20 0.40
CTSL P07711 2/20 0.45
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
UGCG Q16739 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRM1 P11229 3/20 0.42
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
AVPR1A P37288 1/20 0.39

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 SCHEMBL6895606 1.00 CTSL (0.45) CTSLHSD17B10ALDH1A1CYP3A4UGCG
SCHEMBL6891051 0.96 HSD17B10 (0.47) CTSLHSD17B10ALDH1A1CYP3A4UGCG
SCHEMBL27538309 0.96 HSD17B10 (0.47) CTSLHSD17B10ALDH1A1CYP3A4UGCG
SCHEMBL6895429 0.96 HSD17B10 (0.47) CTSLHSD17B10ALDH1A1CYP3A4UGCG
SCHEMBL6895829 0.92 CHRM1 (0.49) CTSLHSD17B10ALDH1A1CYP3A4UGCG
SCHEMBL6893485 0.91 CYP3A4 (0.44) CTSLHSD17B10ALDH1A1CYP3A4UGCG
SCHEMBL27538327 0.91 CYP3A4 (0.44) CTSLHSD17B10ALDH1A1CYP3A4UGCG
SCHEMBL6897039 0.90 HSD17B10 (0.45) CTSLHSD17B10ALDH1A1CYP3A4UGCG
SCHEMBL6895008 0.88 HSD17B10 (0.42) CTSLHSD17B10ALDH1A1CYP3A4UGCG
SCHEMBL6895691 0.88 HSD17B10 (0.42) CTSLHSD17B10ALDH1A1CYP3A4UGCG

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.