SCHEMBL6567145

SCHEMBL6567145

COc1ccc(S(=O)(=O)C2(OC(=O)NO)CCN(Cc3ccc(Br)cc3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 19/20 0.73
MMP9 P14780 19/20 0.73
MMP13 P45452 19/20 0.73
ADAM17 P78536 18/20 0.73

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
SCHEMBL6567143 0.96 MMP9 (0.71) MMP1MMP9MMP13ADAM17
SCHEMBL6568599 0.91 MMP1 (0.74) MMP1MMP9MMP13ADAM17
SCHEMBL6568497 0.91 MMP1 (0.71) MMP1MMP9MMP13ADAM17
SCHEMBL6568639 0.89 MMP9 (0.75) MMP1MMP9MMP13ADAM17
SCHEMBL6262014 0.87 ADAM17 (0.64) MMP1MMP9MMP13ADAM17
SCHEMBL6565510 0.86 MMP1 (0.73) MMP1MMP9MMP13ADAM17
SCHEMBL6268734 0.86 ADAM17 (0.76) MMP1MMP9MMP13ADAM17
SCHEMBL6261484 0.86 ADAM17 (0.76) MMP1MMP9MMP13ADAM17
SCHEMBL6267659 0.86 ADAM17 (0.75) MMP1MMP9MMP13ADAM17
SCHEMBL6566951 0.86 MMP9 (0.72) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973512-B1 N-HYDROXY-2-(ALKYL, ARYL OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS WYETH CORP (US) 2004-04-07 EP claimed