SCHEMBL6607579

SCHEMBL6607579

COC(=O)CN(Cc1ccccc1N)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 4/20 0.67
MMP1 P03956 2/20 0.58
MMP8 P22894 2/20 0.58
MMP13 P45452 2/20 0.58
CA2 P00918 1/20 0.58
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58
TAS2R14 Q9NYV8 6/20 0.51
PTPN1 P18031 1/20 0.49
NFE2L2 Q16236 1/20 0.49
PTGES O14684 1/20 0.49
TAS2R8 Q9NYW2 1/20 0.49
CXCR3 P49682 1/20 0.49
MMP3 P08254 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MEP1B Q16820 1/20 0.47
BMP1 P13497 1/20 0.47
MMP7 P09237 1/20 0.47
MMP12 P39900 1/20 0.47

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
SCHEMBL6609624 0.89 KEAP1 (0.84) KEAP1MMP1MMP8MMP13CA2
SCHEMBL6608055 0.84 MMP1 (0.80) KEAP1MMP1MMP8MMP13CA2
SCHEMBL22252044 0.82 KEAP1 (0.50) KEAP1MMP1MMP8MMP13CA2
SCHEMBL22252122 0.81 KEAP1 (0.73) KEAP1MMP1MMP8MMP13CA2
SCHEMBL22251960 0.80 KEAP1 (1.00) KEAP1MMP1MMP8MMP13CA2
SCHEMBL2513385 0.77 TAS2R14 (0.70) KEAP1TAS2R14PTPN1PTGESTAS2R8
SCHEMBL6609432 0.76 KEAP1 (0.48) KEAP1MMP1MMP8MMP13CA2
SCHEMBL5655796 0.76 KEAP1 (0.56) KEAP1MMP1MMP8MMP13MMP2
SCHEMBL22252038 0.75 KEAP1 (0.47) KEAP1MMP1MMP8MMP13CA2
SCHEMBL6609435 0.74 KEAP1 (0.60) KEAP1MMP1MMP8MMP13MMP2

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