Fumaric Acid

Fumaric Acid

SCHEMBL4282330

CN[C@@H](CC(C)C)C(=O)N1CCC(N(C2CCOC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.O=C(O)C=CC(=O)O

nearest known ligand 0.48

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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 3)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 20/20 0.48
NR1I2 O75469 10/20 0.48
CYP3A4 P08684 1/20 0.44

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 SCHEMBL4282328 1.00 CACNA1B (0.48) CACNA1BNR1I2CYP3A4
SCHEMBL4282379 0.96 CACNA1B (0.51) CACNA1BNR1I2CYP3A4
SCHEMBL4282382 0.96 CACNA1B (0.51) CACNA1BNR1I2CYP3A4
Fumaric Acid SCHEMBL4284303 0.91 CACNA1B (0.51) CACNA1BNR1I2CYP3A4
Fumaric Acid SCHEMBL4284307 0.91 CACNA1B (0.51) CACNA1BNR1I2CYP3A4
SCHEMBL4277799 0.88 CACNA1B (0.60) CACNA1BNR1I2CYP3A4
SCHEMBL4278747 0.88 CACNA1B (0.60) CACNA1BNR1I2CYP3A4
SCHEMBL4280157 0.88 CACNA1B (0.60) CACNA1BNR1I2CYP3A4
Fumaric Acid SCHEMBL4284302 0.87 CACNA1B (0.49) CACNA1BNR1I2CYP3A4
Fumaric Acid SCHEMBL4284305 0.87 CACNA1B (0.49) CACNA1BNR1I2CYP3A4

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-9000174-B2 4-phenylsulfonamidopiperidines as calcium channel blockers PURDUE PHARMA L.P. (US) 2015-04-07 US disclosed
EP-1814851-B1 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO CELTIQUE SA (LU) 2013-06-05 EP disclosed
US-20090105249-A1 4-phenylsulfonamidopiperidines as calcium channel blockers EURO-CELTIQUE S.A. (LU) 2009-04-23 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-20090105249-A1 4-phenylsulfonamidopiperidines as calcium channel blockers CACNA1A, CACNA1E, CACNA1B CACNA1B 3/4885NR1I2 1898/4885CYP3A4 1097/4885

“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.