SCHEMBL6567581

SCHEMBL6567581

COc1ccc(S(=O)(=O)C2(OC(=O)NO)CCN(CCc3ccccc3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 17/20 0.72
MMP13 P45452 17/20 0.72
MMP1 P03956 16/20 0.72
ADAM17 P78536 11/20 0.72
MMP2 P08253 1/20 0.53
MMP3 P08254 1/20 0.53
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL6566951 0.95 MMP9 (0.72) MMP9MMP13MMP1ADAM17
SCHEMBL6568474 0.94 MMP1 (0.73) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL6568497 0.90 MMP1 (0.71) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL6567129 0.87 MMP9 (0.73) MMP9MMP13MMP1ADAM17
SCHEMBL6567230 0.87 MMP13 (0.73) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL6568501 0.85 MMP9 (0.71) MMP9MMP13MMP1ADAM17
SCHEMBL6567143 0.85 MMP9 (0.71) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL6568465 0.84 MMP9 (0.69) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL6565380 0.84 MMP9 (1.00) MMP9MMP13MMP1ADAM17
SCHEMBL6565510 0.83 MMP1 (0.73) MMP9MMP13MMP1ADAM17

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