SCHEMBL8912385

SCHEMBL8912385

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ADAMTS4 O75173 8/20 0.47
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
MMP2 P08253 4/20 0.46
MMP3 P08254 3/20 0.46
MMP13 P45452 3/20 0.46
MMP1 P03956 2/20 0.46
MMP7 P09237 2/20 0.46
MMP9 P14780 2/20 0.46
BCAT2 O15382 1/20 0.43
PLG P00747 2/20 0.41
PLAU P00749 2/20 0.41

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
SCHEMBL8914320 0.90 BCAT2 (0.45) KDM4EALDH1A1CASP1NPSR1HSD17B10
SCHEMBL8913470 0.83 HTT (0.50) KDM4EALDH1A1ADAMTS4MMP2MMP3
SCHEMBL8912797 0.81 SLC1A3 (0.47) KDM4EALDH1A1HPGDCASP1CASP7
SCHEMBL8914187 0.81 ADAMTS4 (0.66) ADAMTS4MMP2MMP3MMP13MMP1
SCHEMBL8913118 0.76 MMP2 (0.67) ADAMTS4SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL8914335 0.76 ALDH1A1 (0.45) KDM4EALDH1A1HPGDCASP1CASP7
SCHEMBL8913335 0.71 KCNA5 (0.47) ADAMTS4SLC1A3SLC1A2SLC1A1MMP1
SCHEMBL10965358 0.69 F2 (0.53) KDM4EALDH1A1HPGDCASP1CASP7
SCHEMBL10966272 0.69 F2 (0.53) KDM4EALDH1A1HPGDCASP1CASP7
SCHEMBL8913990 0.69 ADAMTS4 (0.64) ALDH1A1HSD17B10ADAMTS4SLC1A3SLC1A2

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