SCHEMBL6788239

SCHEMBL6788239

N#Cc1ccc(-c2ccc(S(=O)(=O)CC(CSc3ccccc3)C(=O)O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 7/20 0.46
MMP2 P08253 9/20 0.45
MMP9 P14780 7/20 0.45
MMP13 P45452 6/20 0.45
MMP1 P03956 4/20 0.45
MMP8 P22894 2/20 0.45
MMP7 P09237 3/20 0.43
MAPT P10636 1/20 0.42
EEF2K O00418 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MMP14 P50281 1/20 0.39
KAT6A Q92794 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ADAMTS4 O75173 1/20 0.38
KEAP1 Q14145 1/20 0.37

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
SCHEMBL6789191 0.89 MMP13 (0.47) MMP3MMP2MMP9MMP13MMP1
SCHEMBL6787284 0.86 HSD11B1 (0.45) MMP3MMP2MMP9MMP13MMP1
SCHEMBL6789668 0.85 MMP2 (0.47) MMP2MMP9MAPTALDH1A1
SCHEMBL6794468 0.84 MMP2 (0.47) MMP3MMP2MMP9MMP13MMP1
SCHEMBL6796186 0.84 MMP2 (0.62) MMP3MMP2MMP9MMP13MMP1
SCHEMBL6783185 0.84 MMP2 (0.62) MMP3MMP2MMP9MMP13MMP1
SCHEMBL6783118 0.84 MMP2 (0.62) MMP3MMP2MMP9MMP13MMP1
SCHEMBL19506062 0.84 MMP13 (0.46) MMP3MMP2MMP9MMP13MMP1
SCHEMBL6788518 0.80 ALDH1A1 (0.53) MMP3MMP2MMP9MMP13MMP1
SCHEMBL6783784 0.79 HSD11B1 (0.43) MMP3MMP2MMP9MMP13MMP1

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-6765003-B1 ANTICARCINOGENIC, ANTITUMOR, AND ANTIMETASTASIS AGENTS; RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPOROSIS, MULTIPLE SCLEROSIS, STROKE, ARTERIOSCLEROSIS, PHARMACIA ITALIA, SPA (IT) 2004-07-20 US disclosed
EP-1200398-A1 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2002-05-02 EP disclosed
EP-1140936-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2001-10-10 EP disclosed
WO-2001005756-A1 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2001-01-25 WO disclosed
WO-2000042040-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2000-07-20 WO disclosed