Fumaric Acid

Fumaric Acid

SCHEMBL4287224

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

nearest known ligand 0.49

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
HTR1A known ✓ P08908 1/20 0.47
DRD2 known ✓ P14416 1/20 0.44
ADRA1D known ✓ P25100 1/20 0.44
ADRA1A known ✓ P35348 1/20 0.44
ADRA1B known ✓ P35368 1/20 0.44
CACNA1B Q00975 3/20 0.49
HTR7 P34969 1/20 0.47
LMNA P02545 1/20 0.45
F2 P00734 6/20 0.44
IDH2 P48735 2/20 0.43
HDAC8 Q9BY41 1/20 0.42
SFRP1 Q8N474 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
WNT3 P56703 1/20 0.42

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 SCHEMBL4287220 1.00 CACNA1B (0.49) CACNA1BHTR1AHTR7LMNAF2
SCHEMBL8268664 0.95 CACNA1B (0.53) CACNA1BHTR1AHTR7F2DRD2
Fumaric Acid SCHEMBL4284305 0.87 CACNA1B (0.49) CACNA1BLMNA
Fumaric Acid SCHEMBL4284302 0.87 CACNA1B (0.49) CACNA1BLMNA
Fumaric Acid SCHEMBL4280255 0.86 CACNA1B (0.53) CACNA1BLMNA
Fumaric Acid SCHEMBL4280251 0.86 CACNA1B (0.53) CACNA1BLMNA
Fumaric Acid SCHEMBL4284307 0.85 CACNA1B (0.51) CACNA1B
Fumaric Acid SCHEMBL4284303 0.85 CACNA1B (0.51) CACNA1B
Fumaric Acid SCHEMBL4282054 0.83 CACNA1B (0.46) CACNA1BHTR1AHTR7LMNADRD2
Fumaric Acid SCHEMBL4282058 0.83 CACNA1B (0.46) CACNA1BHTR1AHTR7LMNADRD2

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-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
EP-1814851-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2007-08-08 EP disclosed
WO-2006040181-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2006-04-20 WO 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 HTR1A 935/4885DRD2 347/4885ADRA1D 263/4885

“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.