SCHEMBL8912748

SCHEMBL8912748

CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)O.NC(=O)N1CCNCC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.63
MMP3 P08254 12/20 0.63
MMP13 P45452 12/20 0.63
MMP1 P03956 11/20 0.63
MMP7 P09237 11/20 0.63
MMP9 P14780 11/20 0.63
SLC1A3 P43003 1/20 0.53
SLC1A2 P43004 1/20 0.53
SLC1A1 P43005 1/20 0.53
ADAMTS4 O75173 4/20 0.51
MMP12 P39900 1/20 0.49
MMP14 P50281 1/20 0.48

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
SCHEMBL8915067 0.90 MMP2 (0.56) MMP2MMP3MMP13MMP1MMP7
SCHEMBL8916333 0.89 ADAMTS4 (0.48) MMP2MMP3MMP13MMP1MMP7
SCHEMBL2161562 0.82 MMP2 (0.91) MMP2MMP3MMP13MMP1MMP7
SCHEMBL6797666 0.82 MMP2 (0.91) MMP2MMP3MMP13MMP1MMP7
SCHEMBL3842066 0.82 MMP2 (0.91) MMP2MMP3MMP13MMP1MMP7
SCHEMBL8912753 0.80 MMP1 (0.55) MMP2MMP3MMP13MMP1MMP7
SCHEMBL8913854 0.79 MMP2 (0.57) MMP2MMP3MMP13MMP1MMP7
SCHEMBL7406959 0.78 MMP2 (1.00) MMP2MMP3MMP13MMP1MMP7
SCHEMBL7406967 0.78 MMP2 (1.00) MMP2MMP3MMP13MMP1MMP7
SCHEMBL8915384 0.78 ADAMTS4 (0.54) MMP2MMP3MMP13MMP1MMP7

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