SCHEMBL6788683

SCHEMBL6788683

CCCCN1CC(=O)N(CC(CS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.40
MMP9 P14780 8/20 0.40
GAA P10253 1/20 0.39
HDAC6 Q9UBN7 2/20 0.37
NPC1 O15118 1/20 0.37
ADAMTS5 Q9UNA0 3/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
MMP1 P03956 2/20 0.34
MMP7 P09237 2/20 0.34
MMP3 P08254 1/20 0.34
MMP13 P45452 1/20 0.34
CA9 Q16790 1/20 0.33

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
SCHEMBL6783195 0.93 MMP2 (0.40) MMP2MMP9GAAHDAC6NPC1
SCHEMBL6789040 0.90 GAA (0.42) MMP2MMP9GAAHDAC6NPC1
SCHEMBL6790325 0.90 GAA (0.38) MMP2MMP9GAAHDAC6NPC1
SCHEMBL6789471 0.90 HDAC6 (0.41) MMP2MMP9GAAHDAC6NPC1
SCHEMBL6791331 0.88 MMP2 (0.40) MMP2MMP9HDAC6MMP1MMP7
SCHEMBL6790746 0.86 MMP2 (0.42) MMP2MMP9GAAHDAC6NPC1
SCHEMBL6795508 0.83 MMP9 (0.40) MMP2MMP9GAAHDAC6NPC1
SCHEMBL6790741 0.79 MMP2 (0.40) MMP2MMP9HDAC6MMP1MMP7
SCHEMBL6783922 0.76 MMP2 (0.55) MMP2MMP9GAANPC1MMP1
SCHEMBL6788993 0.76 MMP2 (0.55) MMP2MMP9GAANPC1MMP1

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
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-2001026605-A2 IMMUNOSUPPRESSIVE COMPOSITION CONTAINING IL-2 INHIBITOR AND AN ADENOSINE DEAMINASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-19 WO 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