SCHEMBL6608829

SCHEMBL6608829

CN(C)CC#CCOc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)c3sccc3Cl)CC2C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.55
ADAM17 P78536 20/20 0.55
MMP1 P03956 19/20 0.55
MMP9 P14780 13/20 0.55

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
SCHEMBL6612787 0.93 MMP1 (0.54) MMP13ADAM17MMP1MMP9
SCHEMBL6614483 0.86 MMP1 (0.62) MMP13ADAM17MMP1MMP9
SCHEMBL3949699 0.85 MMP13 (0.57) MMP13ADAM17MMP1MMP9
SCHEMBL6623675 0.84 MMP13 (0.66) MMP13ADAM17MMP1MMP9
SCHEMBL6609923 0.82 MMP13 (0.55) MMP13ADAM17MMP1MMP9
SCHEMBL6614009 0.81 MMP13 (0.59) MMP13ADAM17MMP1MMP9
SCHEMBL6614079 0.81 MMP13 (0.59) MMP13ADAM17MMP1MMP9
SCHEMBL3940171 0.80 MMP13 (0.65) MMP13ADAM17MMP1MMP9
SCHEMBL3941984 0.80 MMP13 (0.69) MMP13ADAM17MMP1MMP9
SCHEMBL6608737 0.79 MMP1 (0.64) MMP13ADAM17MMP1MMP9

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 4 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
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