SCHEMBL6784835

SCHEMBL6784835

O=C(O)C(CSc1nc(O)cc(O)n1)CS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.41
MMP9 P14780 6/20 0.41
MMP3 P08254 4/20 0.41
MMP13 P45452 3/20 0.41
MMP1 P03956 2/20 0.41
MMP8 P22894 1/20 0.41
MCL1 Q07820 2/20 0.39
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
BCL2A1 Q16548 1/20 0.39
BCL2L2 Q92843 1/20 0.39
ADAMTS5 Q9UNA0 3/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
MMP7 P09237 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HSP90AA1 P07900 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
G6PD P11413 1/20 0.34

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
SCHEMBL6788329 0.93 HPGD (0.39) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6783258 0.88 HPGD (0.44) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7447846 0.88 HPGD (0.44) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6788702 0.84 MMP2 (0.45) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6789717 0.81 MMP2 (0.51) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6796186 0.80 MMP2 (0.62) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6783185 0.80 MMP2 (0.62) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6783118 0.80 MMP2 (0.62) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6789943 0.79 ALDH1A1 (0.43) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7448510 0.78 ALDH1A1 (0.46) MMP2MMP9MMP3MMP13MMP1

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