SCHEMBL6609435

SCHEMBL6609435

COc1ccc(S(=O)(=O)N(Cc2ccccc2N)C(O)CC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 6/20 0.60
NFE2L2 Q16236 3/20 0.60
BMP1 P13497 6/20 0.50
MMP2 P08253 6/20 0.48
MMP8 P22894 6/20 0.48
MMP13 P45452 6/20 0.48
MMP9 P14780 5/20 0.48
MMP1 P03956 1/20 0.48
TAS2R14 Q9NYV8 1/20 0.47
MMP12 P39900 1/20 0.45
MMP14 P50281 1/20 0.45
MMP16 P51512 1/20 0.45

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
SCHEMBL6608765 0.83 KEAP1 (0.64) KEAP1NFE2L2BMP1MMP2MMP8
SCHEMBL6609624 0.80 KEAP1 (0.84) KEAP1NFE2L2MMP2MMP8MMP13
SCHEMBL5655796 0.80 KEAP1 (0.56) KEAP1NFE2L2BMP1MMP2MMP8
SCHEMBL22252093 0.76 KEAP1 (0.71) KEAP1NFE2L2BMP1MMP2MMP8
SCHEMBL22251983 0.76 KEAP1 (1.00) KEAP1NFE2L2BMP1MMP2MMP8
SCHEMBL22251959 0.76 KEAP1 (1.00) KEAP1NFE2L2BMP1MMP2MMP8
SCHEMBL6607579 0.74 KEAP1 (0.67) KEAP1NFE2L2BMP1MMP2MMP8
SCHEMBL22252350 0.72 KEAP1 (0.74) KEAP1NFE2L2BMP1MMP2MMP8
SCHEMBL6609432 0.72 KEAP1 (0.48) KEAP1NFE2L2BMP1MMP2MMP8
SCHEMBL8023076 0.71 KEAP1 (0.46) KEAP1NFE2L2BMP1MMP2MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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