SCHEMBL6790746

SCHEMBL6790746

CN1CC(=O)N(CC(CS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.42
MMP9 P14780 9/20 0.42
GAA P10253 2/20 0.41
ADAMTS5 Q9UNA0 3/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MMP1 P03956 2/20 0.38
PKM P14618 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
RECQL P46063 1/20 0.38
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP13 P45452 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
SCHEMBL6789040 0.88 GAA (0.42) MMP2MMP9GAAADAMTS5NPC1
SCHEMBL6788683 0.86 MMP2 (0.40) MMP2MMP9GAAADAMTS5NPC1
SCHEMBL6783195 0.82 MMP2 (0.40) MMP2MMP9GAAADAMTS5NPC1
SCHEMBL6788993 0.81 MMP2 (0.55) MMP2MMP9GAANPC1MMP1
SCHEMBL6783922 0.81 MMP2 (0.55) MMP2MMP9GAANPC1MMP1
SCHEMBL6783455 0.81 MMP2 (0.43) MMP2MMP9GAAADAMTS5NPC1
SCHEMBL6788436 0.77 MMP9 (0.55) MMP2MMP9ALDH1A1MMP1MMP3
SCHEMBL7456913 0.76 GAA (0.42) MMP2MMP9GAAADAMTS5NPC1
SCHEMBL6789471 0.76 HDAC6 (0.41) MMP2MMP9GAANPC1MMP1
SCHEMBL6790325 0.76 GAA (0.38) MMP2MMP9GAAADAMTS5NPC1

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 4 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 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