SCHEMBL7417707

SCHEMBL7417707

COc1ccc(S(=O)(=O)C(O)(Cc2ccc3ccccc3c2)C(N)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 6/20 0.63
MMP13 P45452 6/20 0.63
MMP1 P03956 5/20 0.63
ADAM17 P78536 2/20 0.50
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 2/20 0.44
PKM P14618 1/20 0.44
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43

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
SCHEMBL6934607 0.80 MMP13 (0.78) MMP9MMP13MMP1ADAM17ALDH1A1
SCHEMBL6932368 0.77 MMP13 (1.00) MMP9MMP13MMP1ADAM17
SCHEMBL6933323 0.76 MMP13 (0.72) MMP9MMP13MMP1ADAM17ALDH1A1
SCHEMBL7395627 0.73 MMP9 (0.76) MMP9MMP13MMP1ADAM17ALDH1A1
SCHEMBL8713231 0.72 MMP1 (0.73) MMP9MMP13MMP1ADAM17ALDH1A1
SCHEMBL6928764 0.69 MMP9 (0.77) MMP9MMP13MMP1ADAM17ALDH1A1
SCHEMBL6932190 0.68 MMP9 (0.79) MMP9MMP13MMP1
SCHEMBL6932195 0.67 MMP13 (0.63) MMP9MMP13MMP1ADAM17ALDH1A1
SCHEMBL8843348 0.67 MMP1 (0.51) MMP9MMP13MMP1ADAM17ALDH1A1
SCHEMBL6933879 0.67 MMP1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054858-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-29 EP disclosed
WO-1999042436-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-08-26 WO disclosed