SCHEMBL6608022

SCHEMBL6608022

COC(=O)C(CO)N(Cc1ccc(Cl)cc1[N+](=O)[O-])S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.53
MMP8 P22894 3/20 0.53
MMP13 P45452 3/20 0.53
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
BMP1 P13497 4/20 0.50
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA2 P00918 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
MMP7 P09237 1/20 0.45
MMP12 P39900 1/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44

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
SCHEMBL5654237 0.87 MMP1 (0.69) MMP1MMP8MMP13MMP2MMP9
SCHEMBL6609943 0.86 MMP1 (0.47) MMP1MMP8MMP13BMP1ALDH1A1
SCHEMBL6608519 0.85 MMP1 (0.55) MMP1MMP8MMP13MMP2MMP9
SCHEMBL8021638 0.84 MMP1 (0.57) MMP1MMP8MMP13MMP2MMP9
SCHEMBL6616241 0.84 MMP1 (0.54) MMP1MMP8MMP13MMP2MMP9
SCHEMBL6612562 0.82 MMP1 (0.43) MMP1MMP8MMP13MMP2MMP9
SCHEMBL6611402 0.78 MMP1 (0.68) MMP1MMP8MMP13MMP2MMP9
SCHEMBL7390378 0.76 MMP1 (0.56) MMP1MMP8MMP13MMP2MMP9
SCHEMBL6610164 0.76 BMP1 (0.48) MMP1MMP8MMP13MMP2MMP9
SCHEMBL5655796 0.75 KEAP1 (0.56) MMP1MMP8MMP13MMP2MMP9

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