SCHEMBL27533465

SCHEMBL27533465

COc1ccc(S(=O)(=O)N(C)Cc2c(COC(C)=O)cc(Br)cc2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 6/20 0.45
MMP1 P03956 6/20 0.45
MMP13 P45452 6/20 0.45
MMP9 P14780 5/20 0.45
MMP2 P08253 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 2/20 0.42
BMP1 P13497 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
STAT3 P40763 2/20 0.42
TAS2R14 Q9NYV8 3/20 0.41
KEAP1 Q14145 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL7317819 0.78 MMP9 (0.58) ADAM17MMP1MMP13MMP9KDM4E
SCHEMBL27569107 0.75 KEAP1 (0.51) ADAM17MMP1MMP13MMP9MMP2
SCHEMBL27511381 0.73 MMP9 (0.69) ADAM17MMP1MMP13MMP9
SCHEMBL7317816 0.72 POLB (0.41) ADAM17MMP1MMP13MMP9MMP2
SCHEMBL7311189 0.71 MMP9 (0.57) ADAM17MMP1MMP13MMP9KEAP1
SCHEMBL7315684 0.71 MMP9 (0.57) ADAM17MMP1MMP13MMP9BMP1
SCHEMBL27529783 0.71 MMP9 (0.62) ADAM17MMP1MMP13MMP9MMP2
SCHEMBL7323912 0.69 MMP9 (0.65) ADAM17MMP1MMP13MMP9
SCHEMBL7318672 0.68 MMP13 (0.71) ADAM17MMP1MMP13MMP9ALDH1A1
SCHEMBL4012164 0.67 TAS2R14 (0.53) KDM4EALDH1A1TAS2R14

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
CN-1240429-A Preparation and use of ortho-sulfonamido aryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors AMERICAN CYANAMID CO (US) 2000-01-05 CN disclosed