SCHEMBL6608931

SCHEMBL6608931

COc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)CNC(C)=O)CC2C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 19/20 0.66
MMP13 P45452 19/20 0.66
ADAM17 P78536 19/20 0.66
MMP9 P14780 18/20 0.66
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL6608492 0.93 MMP1 (0.68) MMP1MMP13ADAM17MMP9
SCHEMBL3938985 0.89 MMP13 (0.63) MMP1MMP13ADAM17MMP9
SCHEMBL6612421 0.88 MMP1 (0.68) MMP1MMP13ADAM17MMP9
SCHEMBL4028722 0.88 MMP13 (0.69) MMP1MMP13ADAM17MMP9
SCHEMBL6624972 0.87 MMP1 (0.81) MMP1MMP13ADAM17MMP9
SCHEMBL7429606 0.87 MMP1 (0.67) MMP1MMP13ADAM17MMP9
SCHEMBL6614299 0.87 MMP1 (0.80) MMP1MMP13ADAM17MMP9
Dimethylamine SCHEMBL7424112 0.86 MMP1 (0.79) MMP1MMP13ADAM17MMP9CA12
SCHEMBL7427798 0.85 MMP1 (0.70) MMP1MMP13ADAM17MMP9
SCHEMBL7424100 0.85 MMP1 (0.65) MMP1MMP13ADAM17MMP9

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051407-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-15 EP claimed
US-6071903-A ENZYME INHIBITORS OF MATRIX METALLOPROTEINASES (MMPS); ANTITUMOR,-CARCINOGENIC AND -ARTHRITIC AGENTS; OSTEOARTHRITIS; RHEUMATOID DISEASES; DEGENERATIVE CARTILAGE LOSS; LONG-ACTING, ORALLY BIOAVAILABLE NONPEPTIDE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-06-06 US claimed
WO-1999037625-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-07-29 WO claimed
EP-1147095-B1 2, 3, 4, 5-TETRAHYDRO-1H-[1, 4] BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH CORP (US) 2004-08-11 EP disclosed
US-6544984-B1 Treating disease conditions mediated by matrix metalloproteinases and TACE, such as tumor growth, osteoarthritis, rheumatoid arthritis and degenerative cartilage loss. AMERICAN CYANAMID COMPANY 2003-04-08 US disclosed
EP-1147095-A1 2, 3, 4, 5-TETRAHYDRO-1H-[1, 4] BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
EP-1051407-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-15 EP disclosed
WO-2000044730-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]BENZODIAZEPINE-3-HYDROXAMIC ACID AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
US-6071903-A ENZYME INHIBITORS OF MATRIX METALLOPROTEINASES (MMPS); ANTITUMOR,-CARCINOGENIC AND -ARTHRITIC AGENTS; OSTEOARTHRITIS; RHEUMATOID DISEASES; DEGENERATIVE CARTILAGE LOSS; LONG-ACTING, ORALLY BIOAVAILABLE NONPEPTIDE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-06-06 US disclosed
WO-1999037625-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-07-29 WO disclosed