SCHEMBL6788702

SCHEMBL6788702

O=C(O)C(CSc1ncccn1)CS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.45
MMP9 P14780 7/20 0.45
MMP3 P08254 5/20 0.45
MMP13 P45452 3/20 0.45
MMP1 P03956 3/20 0.45
MMP8 P22894 2/20 0.45
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA4 P22748 1/20 0.41
ADAMTS5 Q9UNA0 2/20 0.40
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD11B1 P28845 2/20 0.39
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
BCL2A1 Q16548 1/20 0.38

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
SCHEMBL7448510 0.89 ALDH1A1 (0.46) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6784793 0.89 ALDH1A1 (0.46) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6796186 0.84 MMP2 (0.62) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6783118 0.84 MMP2 (0.62) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6783185 0.84 MMP2 (0.62) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6784835 0.84 MMP2 (0.41) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7447846 0.83 HPGD (0.44) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6783258 0.83 HPGD (0.44) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6788038 0.82 MGAM (0.41) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6797128 0.81 MMP2 (0.42) 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