SCHEMBL6613612

SCHEMBL6613612

COC(=O)C1CN(C(=O)c2ccc(Cl)s2)c2ccccc2CN1S(=O)(=O)c1ccc(OCC#CCO)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 20/20 0.58
MMP13 P45452 20/20 0.58
ADAM17 P78536 20/20 0.58
MMP9 P14780 15/20 0.58

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
SCHEMBL6610268 0.92 MMP13 (0.58) MMP1MMP13ADAM17MMP9
SCHEMBL6609743 0.88 MMP1 (0.64) MMP1MMP13ADAM17MMP9
SCHEMBL6610716 0.86 MMP13 (0.57) MMP1MMP13ADAM17MMP9
SCHEMBL6609946 0.86 MMP13 (0.65) MMP1MMP13ADAM17MMP9
SCHEMBL3942137 0.86 MMP13 (0.66) MMP1MMP13ADAM17MMP9
SCHEMBL6638714 0.85 MMP1 (0.54) MMP1MMP13ADAM17MMP9
SCHEMBL6607567 0.85 MMP1 (0.57) MMP1MMP13ADAM17MMP9
SCHEMBL6608798 0.83 MMP13 (0.73) MMP1MMP13ADAM17MMP9
SCHEMBL6614380 0.83 MMP1 (0.67) MMP1MMP13ADAM17MMP9
SCHEMBL6612721 0.83 MMP13 (0.72) MMP1MMP13ADAM17MMP9

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