SCHEMBL8912797

SCHEMBL8912797

CC(C)[C@H](NS(=O)(=O)c1cccc2cnccc12)C(=O)O.NC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
MMP1 P03956 2/20 0.46
ADAM17 P78536 1/20 0.46
KCNA5 P22460 2/20 0.45
ADAMTS4 O75173 5/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MMP2 P08253 2/20 0.43
MMP3 P08254 2/20 0.43
MMP13 P45452 2/20 0.43
MELK Q14680 2/20 0.43
MAPK1 P28482 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43

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
SCHEMBL8913335 0.91 KCNA5 (0.47) SLC1A3SLC1A2SLC1A1MMP1ADAM17
SCHEMBL8913898 0.85 KCNA5 (0.47) KCNA5ADAMTS4MMP2MELKMAPK1
SCHEMBL8912385 0.81 KDM4E (0.48) SLC1A3SLC1A2SLC1A1MMP1KCNA5
SCHEMBL8914187 0.78 ADAMTS4 (0.66) MMP1ADAMTS4MMP2MMP3MMP13
SCHEMBL8913812 0.78 ROCK2 (0.51) SLC1A3SLC1A2SLC1A1MMP1ADAM17
SCHEMBL8913118 0.74 MMP2 (0.67) SLC1A3SLC1A2SLC1A1MMP1ADAMTS4
SCHEMBL9541267 0.72 PRKD3 (0.61) MMP1ADAM17KCNA5KDM4EMELK
SCHEMBL8915915 0.71 ROCK2 (0.45) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL8914671 0.71 ROCK2 (0.45) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL8914320 0.71 BCAT2 (0.45) SLC1A3SLC1A2SLC1A1ADAMTS4KDM4E

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 2 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