SCHEMBL6646162

SCHEMBL6646162

CC#CCc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)c3ccccc3)CC2C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.65
ADAM17 P78536 19/20 0.65
MMP1 P03956 18/20 0.65
MMP9 P14780 13/20 0.65
POLB P06746 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL3940219 0.87 MMP13 (0.85) MMP13ADAM17MMP1MMP9
SCHEMBL6609075 0.82 MMP13 (0.77) MMP13ADAM17MMP1MMP9
SCHEMBL6609170 0.82 MMP1 (0.82) MMP13ADAM17MMP1MMP9POLB
SCHEMBL3944053 0.81 MMP13 (0.76) MMP13ADAM17MMP1MMP9
SCHEMBL3950441 0.81 MMP13 (0.73) MMP13ADAM17MMP1MMP9
SCHEMBL3939462 0.81 MMP13 (0.73) MMP13ADAM17MMP1MMP9
SCHEMBL3947778 0.80 MMP13 (0.85) MMP13ADAM17MMP1MMP9
SCHEMBL6612352 0.79 MMP13 (0.84) MMP13ADAM17MMP1MMP9
SCHEMBL6608973 0.79 MMP1 (0.64) MMP13ADAM17MMP1MMP9
SCHEMBL3948361 0.79 MMP13 (0.72) 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