Fumaric Acid

Fumaric Acid

SCHEMBL4900029

Cc1ccc2c3c(ccc2n1)OC[C@H](CNC[C@H]1CCc2[nH]c4ccc(F)cc4c2C1)O3.O=C(O)C=CC(=O)O

nearest known ligand 0.57

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 8)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 13/20 0.57
SLC6A4 known ✓ P31645 12/20 0.57
HTR2B known ✓ P41595 6/20 0.57
HTR2A known ✓ P28223 5/20 0.57
HTR1A known ✓ P08908 8/20 0.47
HTR2C known ✓ P28335 2/20 0.38
VPS4B O75351 1/20 0.45
VCP P55072 1/20 0.45

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 SCHEMBL4900020 1.00 DRD2 (0.57) DRD2SLC6A4HTR2BHTR2AHTR1A
SCHEMBL4904454 0.95 SLC6A4 (0.60) DRD2SLC6A4HTR2BHTR2AHTR1A
SCHEMBL4899330 0.95 SLC6A4 (0.60) DRD2SLC6A4HTR2BHTR2AHTR1A
SCHEMBL4897995 0.95 SLC6A4 (0.60) DRD2SLC6A4HTR2BHTR2AHTR1A
SCHEMBL4902811 0.95 SLC6A4 (0.60) DRD2SLC6A4HTR2BHTR2AHTR1A
Malic Acid SCHEMBL5531253 0.91 DRD2 (0.55) DRD2SLC6A4HTR2BHTR2AHTR1A
SCHEMBL4903738 0.90 SLC6A4 (0.53) DRD2SLC6A4HTR2BHTR2AHTR1A
SCHEMBL4904197 0.89 SLC6A4 (0.60) DRD2SLC6A4HTR2BHTR2AHTR1A
SCHEMBL4905430 0.89 SLC6A4 (0.61) DRD2SLC6A4HTR2BHTR2AHTR1A
SCHEMBL14196480 0.89 SLC6A4 (0.61) DRD2SLC6A4HTR2BHTR2AHTR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US disclosed
US-7297704-B2 Cycloalkyfused indole, benzothiophene, benzofuran and idene derivatives WYETH (US) 2007-11-20 US disclosed
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives WYETH (US) 2006-09-14 US 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-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives TPH1, TPH2, HTR2C DRD2 147/4885SLC6A4 25/4885HTR2B 16/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C DRD2 147/4885SLC6A4 25/4885HTR2B 16/4885

“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.