Fumaric Acid

Fumaric Acid

SCHEMBL6306151

CC(N)(CO)CCc1ccc(C=CCCCCC2CCCCC2)s1.O=C(O)C=CC(=O)O

nearest known ligand 0.34

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 14)

geneUniProtsupporting neighboursconfidence
KMT2A known ✓ Q03164 1/20 0.34
HRH3 known ✓ Q9Y5N1 2/20 0.32
S1PR1 known ✓ P21453 1/20 0.31
KCNH2 known ✓ Q12809 1/20 0.30
MAPK1 P28482 1/20 0.34
HRH4 Q9H3N8 2/20 0.32
MCL1 Q07820 1/20 0.32
TNNC1 P63316 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
HDAC1 Q13547 1/20 0.30
RARB P10826 1/20 0.30
LSS P48449 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
Maleic Acid SCHEMBL6306145 1.00 MAPK1 (0.34) MAPK1KMT2AHRH4HRH3MCL1
Maleic Acid SCHEMBL6306142 1.00 MAPK1 (0.34) MAPK1KMT2AHRH4HRH3MCL1
SCHEMBL6310680 0.90 TNNC1 (0.33) TNNC1S1PR3
SCHEMBL6310677 0.90 TNNC1 (0.33) TNNC1S1PR3
SCHEMBL6306147 0.84 S1PR4 (0.34) S1PR4S1PR1S1PR3S1PR5
Fumaric Acid SCHEMBL6303024 0.82 TBXAS1 (0.38) MAPK1KMT2ATNNC1
Maleic Acid SCHEMBL6303019 0.82 TBXAS1 (0.38) MAPK1KMT2ATNNC1
Maleic Acid SCHEMBL6303015 0.82 TBXAS1 (0.38) MAPK1KMT2ATNNC1
SCHEMBL385547 0.77 CEL (0.39) MCL1S1PR4S1PR1S1PR3S1PR5
SCHEMBL6310394 0.76 CEL (0.38) S1PR3

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-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 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 (2 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A KMT2A 1760/4885HRH3 33/4885S1PR1 1542/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A KMT2A 1760/4885HRH3 33/4885S1PR1 1542/4885

“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.