SCHEMBL5492303

SCHEMBL5492303

Nc1ccc(S(=O)(=O)NC2(C(=O)O)C[C@H]2c2ccccc2)s1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 14/20 0.66
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
MMP14 P50281 4/20 0.40
MMP1 P03956 3/20 0.40
ADAM17 P78536 3/20 0.40
ADAMTS4 O75173 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
KDM1A O60341 5/20 0.33
MAOA P21397 5/20 0.33
MAOB P27338 5/20 0.33

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
SCHEMBL2763988 1.00 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19MMP14MMP1
SCHEMBL2763985 1.00 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19MMP14MMP1
SCHEMBL2763922 0.85 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19MMP14MMP1
SCHEMBL5495427 0.85 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19
SCHEMBL2765105 0.85 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19
SCHEMBL2764432 0.85 ADAMTS5 (0.72) ADAMTS5MAPK1CYP2C19MMP14MMP1
SCHEMBL2763926 0.85 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19MMP14MMP1
SCHEMBL2765101 0.85 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19
SCHEMBL5490600 0.85 ADAMTS5 (0.72) ADAMTS5MAPK1CYP2C19MMP14MMP1
SCHEMBL2764429 0.85 ADAMTS5 (0.72) ADAMTS5MAPK1CYP2C19MMP14MMP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007516982-A 2007-06-28 JP claimed
EP-1694410-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2006-08-30 EP claimed
WO-2005058884-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 WO claimed
EP-1694410-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2006-08-30 EP disclosed
WO-2005058884-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 WO disclosed