SCHEMBL6797128

SCHEMBL6797128

O=C(O)C(CSCc1ccccn1)CS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
ADAMTS5 Q9UNA0 2/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
CXCR3 P49682 2/20 0.40
MMP9 P14780 5/20 0.39
ADAMTS4 O75173 1/20 0.39
MAPK1 P28482 1/20 0.39
MMP3 P08254 3/20 0.39
MMP13 P45452 2/20 0.39
MMP1 P03956 1/20 0.39
MMP8 P22894 1/20 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
SCHEMBL6789601 0.89 MMP2 (0.41) MMP2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6783784 0.87 HSD11B1 (0.43) MMP2NPC1RAB9AMAPTALDH1A1
SCHEMBL6783884 0.87 MEN1 (0.46) MMP2NPC1RAB9ASMN1; SMN2CXCR3
SCHEMBL7448510 0.84 ALDH1A1 (0.46) MMP2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6784793 0.84 ALDH1A1 (0.46) MMP2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6788702 0.81 MMP2 (0.45) MMP2ADAMTS5MMP9MAPK1MMP3
SCHEMBL6789176 0.81 MAPK1 (0.47) MMP2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6796186 0.78 MMP2 (0.62) MMP2ADAMTS5MMP9MMP3MMP13
SCHEMBL6783118 0.78 MMP2 (0.62) MMP2ADAMTS5MMP9MMP3MMP13
SCHEMBL6783185 0.78 MMP2 (0.62) MMP2ADAMTS5MMP9MMP3MMP13

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
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 claimed
WO-2001005756-A1 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2001-01-25 WO claimed
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
WO-2001005756-A1 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2001-01-25 WO disclosed