SCHEMBL6789176

SCHEMBL6789176

O=C(Nc1ccc(S(=O)(=O)CC(CSCc2ccccn2)C(=O)O)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
MMP9 P14780 3/20 0.45
MMP2 P08253 2/20 0.45
PRMT1 Q99873 2/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
HPGD P15428 2/20 0.43
ATM Q13315 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 2/20 0.41
GRM4 Q14833 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6783884 0.94 MEN1 (0.46) MAPK1MMP9MMP2PRMT1MEN1
SCHEMBL6797128 0.81 MMP2 (0.42) MAPK1MMP9MMP2RAB9ANPC1
SCHEMBL6790742 0.79 KMT2A (0.53) MMP9MMP2PRMT1CA1CA2
SCHEMBL6783784 0.78 HSD11B1 (0.43) MAPK1MMP9MMP2RAB9ANPC1
SCHEMBL6789419 0.76 MMP9 (0.47) MMP9MMP2PRMT1CA1CA2
SCHEMBL6784814 0.75 PRMT1 (0.52) MMP9MMP2PRMT1CA1CA2
SCHEMBL6783924 0.73 KMT2A (0.51) MMP9MMP2PRMT1CA1CA2
SCHEMBL6789356 0.73 MMP9 (0.53) MAPK1MMP9MMP2PRMT1CA1
SCHEMBL6789601 0.72 MMP2 (0.41) MMP9MMP2HPGDMEN1KMT2A
SCHEMBL6789668 0.71 MMP2 (0.47) MMP9MMP2PRMT1HPGDMEN1

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