Fumaric Acid

Fumaric Acid

SCHEMBL6493344

Cc1cc(O[C@H](CCN)c2ccon2)c(C#N)cc1F.O=C(O)C=CC(=O)O

nearest known ligand 0.48

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 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 9/20 0.48
SLC6A2 known ✓ P23975 7/20 0.48
NOS2 P35228 11/20 0.48
CYP2D6 P10635 7/20 0.48

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 SCHEMBL6493341 1.00 NOS2 (0.48) NOS2SLC6A4CYP2D6SLC6A2
SCHEMBL6489634 0.92 NOS2 (0.50) NOS2SLC6A4CYP2D6SLC6A2
Fumaric Acid SCHEMBL6504713 0.90 NOS2 (0.61) NOS2SLC6A4CYP2D6SLC6A2
Fumaric Acid SCHEMBL6504718 0.90 NOS2 (0.61) NOS2SLC6A4CYP2D6SLC6A2
Fumaric Acid SCHEMBL6492563 0.90 NOS2 (0.39) NOS2SLC6A4CYP2D6SLC6A2
Fumaric Acid SCHEMBL6492576 0.90 NOS2 (0.39) NOS2SLC6A4CYP2D6SLC6A2
Fumaric Acid SCHEMBL6490771 0.85 NOS2 (0.61) NOS2SLC6A4CYP2D6SLC6A2
Fumaric Acid SCHEMBL6490777 0.85 NOS2 (0.61) NOS2SLC6A4CYP2D6SLC6A2
Fumaric Acid SCHEMBL6490629 0.85 NOS2 (0.47) NOS2SLC6A4CYP2D6SLC6A2
Fumaric Acid SCHEMBL6490624 0.85 NOS2 (0.47) NOS2SLC6A4CYP2D6SLC6A2

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-6887871-B2 Use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2005-05-03 US disclosed
EP-1263711-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-12-15 EP disclosed
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2003-08-21 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 (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-20030158185-A1 Novel use of phenylheteroakylamine derivatives NOS1, XDH, NOS2 SLC6A4 2468/4885SLC6A2 1776/4885NOS2 3/4885

“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.