Fumaric Acid

Fumaric Acid

SCHEMBL5168429

COc1ccc(OCC#Cc2ccc(CC[C@@H](C)C(N)O)s2)cc1OC.O=C(O)C=CC(=O)O

nearest known ligand 0.36

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 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.32
SLC6A4 known ✓ P31645 1/20 0.32
MEN1 known ✓ O00255 1/20 0.31
KMT2A known ✓ Q03164 1/20 0.31
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
ALDH1A1 P00352 5/20 0.34
SNCA P37840 1/20 0.34
POLB P06746 1/20 0.33
KDM4E B2RXH2 4/20 0.33
HIF1A Q16665 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.32
ACHE P22303 1/20 0.31
ALOX5 P09917 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31

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 SCHEMBL5168413 1.00 LTB4R (0.36) LTB4RLTB4R2ALDH1A1SNCAPOLB
Maleic Acid SCHEMBL6304464 0.89 DPP4 (0.31) ALDH1A1KDM4E
Fumaric Acid SCHEMBL5168507 0.89 DPP4 (0.31) ALDH1A1KDM4E
Maleic Acid SCHEMBL5167283 0.89 GRM5 (0.39) ALDH1A1KDM4EMAPK1GAA
Fumaric Acid SCHEMBL5167292 0.89 GRM5 (0.39) ALDH1A1KDM4EMAPK1GAA
Maleic Acid SCHEMBL6304442 0.88 TDP1 (0.34) ALDH1A1POLBHPGDMAPK1SMN1; SMN2
Fumaric Acid SCHEMBL5166201 0.86 GRM5 (0.35) ALDH1A1MEN1KMT2A
Maleic Acid SCHEMBL5166190 0.86 GRM5 (0.35) ALDH1A1MEN1KMT2A
Fumaric Acid SCHEMBL5166314 0.85 EGLN1 (0.35) ALDH1A1MAPK1MEN1KMT2AALOX5
Maleic Acid SCHEMBL5166304 0.85 EGLN1 (0.35) ALDH1A1MAPK1MEN1KMT2AALOX5

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
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
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
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 (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-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A SLC6A2 1855/4885SLC6A4 2149/4885MEN1 1906/4885

“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.