SCHEMBL6567225

SCHEMBL6567225

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

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 19/20 0.67
MMP13 P45452 19/20 0.67
MMP1 P03956 15/20 0.67
MMP3 P08254 1/20 0.56
MMP10 P09238 1/20 0.56
ADAM17 P78536 9/20 0.50
MMP2 P08253 1/20 0.48
MMP14 P50281 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
SCHEMBL6565381 0.88 MMP9 (0.68) MMP9MMP13MMP1MMP3MMP10
SCHEMBL6565498 0.87 MMP9 (0.69) MMP9MMP13MMP1MMP3MMP10
SCHEMBL6568465 0.87 MMP9 (0.69) MMP9MMP13MMP1MMP3ADAM17
SCHEMBL6568501 0.86 MMP9 (0.71) MMP9MMP13MMP1ADAM17
SCHEMBL6566951 0.86 MMP9 (0.72) MMP9MMP13MMP1ADAM17
SCHEMBL6567143 0.85 MMP9 (0.71) MMP9MMP13MMP1MMP3ADAM17
SCHEMBL6566781 0.83 MMP13 (0.71) MMP9MMP13MMP1MMP3MMP2
SCHEMBL6567581 0.83 MMP9 (0.72) MMP9MMP13MMP1MMP3ADAM17
SCHEMBL6568497 0.82 MMP1 (0.71) MMP9MMP13MMP1MMP3ADAM17
SCHEMBL6567129 0.82 MMP9 (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