SCHEMBL8914320

SCHEMBL8914320

C[C@H](NS(=O)(=O)c1cccc2c(Cl)cccc12)C(=O)O.NC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.45
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
ADAMTS4 O75173 1/20 0.44
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
CASP1 P29466 1/20 0.41
CYP3A4 P08684 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2D6 P10635 2/20 0.40
KDM4E B2RXH2 2/20 0.40
FPR2 P25090 1/20 0.40
MTOR P42345 1/20 0.40
CSNK1A1 P48729 1/20 0.40
MYLK Q15746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PLAU P00749 2/20 0.39

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
SCHEMBL8912385 0.90 KDM4E (0.48) BCAT2ADAMTS4SLC1A3SLC1A2SLC1A1
SCHEMBL8913470 0.85 HTT (0.50) BCAT2ADAMTS4CYP3A4CYP1A2CYP2C9
SCHEMBL8913335 0.81 KCNA5 (0.47) BCAT2ALOX5APFEN1ADAMTS4SLC1A3
SCHEMBL8913990 0.80 ADAMTS4 (0.64) BCAT2ADAMTS4SLC1A3SLC1A2SLC1A1
SCHEMBL8914019 0.75 ADAMTS4 (0.61) BCAT2ALOX5APFEN1ADAMTS4SLC1A3
SCHEMBL8914317 0.75 CYP3A4 (0.46) SLC1A3SLC1A2SLC1A1CYP3A4CYP1A2
SCHEMBL8912797 0.71 SLC1A3 (0.47) ADAMTS4SLC1A3SLC1A2SLC1A1CASP1
SCHEMBL8916278 0.71 KDM4E (0.49) BCAT2CASP1KDM4EPLAU
SCHEMBL16000104 0.70 CYP3A4 (0.55) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL5136386 0.70 BCAT2 (0.79) BCAT2KMT2A

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-5663174-A ANTIINFLAMMATORY AGENTS, INHIBITOR OF KINASES, ANTIARTHRITIC AGENTS PHARNO-WEDROPHARM GMBH (DE) 1997-09-02 US disclosed
EP-0602028-B1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARNO WEDROPHARM GMBH (DE) 1996-01-17 EP disclosed
WO-1993005014-A1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARNO-WEDROPHARM GMBH (DE) 1993-03-18 WO disclosed