SCHEMBL6609838

SCHEMBL6609838

COC(=O)C1CN(S(=O)(=O)c2ccc(OC)cc2)c2ccccc2CN1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 15/20 0.72
MMP9 P14780 15/20 0.72
MMP13 P45452 15/20 0.72
ADAM17 P78536 15/20 0.72
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 1/20 0.50
MMP2 P08253 1/20 0.50
ANPEP P15144 1/20 0.50

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
SCHEMBL6611272 0.96 MMP1 (0.67) MMP1MMP9MMP13ADAM17ALDH1A1
SCHEMBL6639864 0.94 MMP1 (0.82) MMP1MMP9MMP13ADAM17ALDH1A1
SCHEMBL6614099 0.90 MMP1 (0.70) MMP1MMP9MMP13ADAM17
SCHEMBL6613341 0.89 MMP1 (0.64) MMP1MMP9MMP13ADAM17ALDH1A1
SCHEMBL5657799 0.88 MMP1 (0.82) MMP1MMP9MMP13ADAM17ALDH1A1
SCHEMBL6641084 0.87 MMP1 (0.66) MMP1MMP9MMP13ADAM17MAPT
SCHEMBL6609872 0.87 ALDH1A1 (0.56) MMP1MMP9MMP13ADAM17ALDH1A1
SCHEMBL27573230 0.86 MMP1 (0.82) MMP1MMP9MMP13ADAM17
Dimethylamine SCHEMBL6642543 0.86 MMP1 (0.79) MMP1MMP9MMP13ADAM17ALDH1A1
SCHEMBL5656287 0.85 MMP1 (0.83) MMP1MMP9MMP13ADAM17

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