SCHEMBL6609701

SCHEMBL6609701

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

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.68
ADAM17 P78536 19/20 0.68
MMP1 P03956 18/20 0.68
MMP9 P14780 8/20 0.63
MMP3 P08254 1/20 0.48
MMP8 P22894 1/20 0.48

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
SCHEMBL6609259 0.92 MMP13 (0.73) MMP13ADAM17MMP1MMP9
SCHEMBL3944552 0.90 MMP13 (0.74) MMP13ADAM17MMP1MMP9
SCHEMBL3946335 0.90 MMP13 (0.84) MMP13ADAM17MMP1MMP9
SCHEMBL3944111 0.90 MMP13 (0.70) MMP13ADAM17MMP1MMP9
SCHEMBL3942826 0.87 MMP13 (0.63) MMP13ADAM17MMP1MMP9
SCHEMBL3943727 0.87 MMP13 (0.69) MMP13ADAM17MMP1MMP9
SCHEMBL3942937 0.87 MMP13 (0.71) MMP13ADAM17MMP1MMP9
SCHEMBL3940979 0.86 MMP13 (0.82) MMP13ADAM17MMP1MMP9
SCHEMBL3949463 0.86 MMP13 (0.66) MMP13ADAM17MMP1MMP9
SCHEMBL3948943 0.86 MMP13 (0.68) 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