SCHEMBL5047503

SCHEMBL5047503

COc1ccc(CS(=O)(=O)C(CO)c2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.53
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48
UTS2R Q9UKP6 3/20 0.46
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
FPR2 P25090 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CNR1 P21554 1/20 0.42
KLK7 P49862 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5048643 0.89 CNR2 (0.42) CNR2KMT2AMEN1EGFRERBB2
SCHEMBL5049918 0.82 EGFR (0.45) CNR2KMT2AMEN1EGFRERBB2
SCHEMBL5051075 0.82 EGFR (0.45) CNR2EGFRERBB2TDP1CNR1
SCHEMBL828011 0.76 KMT2A (0.56) CNR2KMT2AMEN1EGFRERBB2
SCHEMBL15617698 0.75 ABCB11 (0.47) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL3237214 0.73 NPC1 (0.60) CNR2KMT2AMEN1UTS2RHPGD
SCHEMBL5605863 0.73 ALDH1A1 (0.46) KMT2AMEN1EGFRUTS2RTDP1
SCHEMBL19984896 0.73 TDP1 (0.51) CNR2KMT2AMEN1UTS2RHPGD
SCHEMBL4818974 0.72 EGFR (0.56) CNR2KMT2AMEN1EGFRERBB2
SCHEMBL171784 0.71 LDHA (0.50) KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896401-A2 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS Temple University of the Commonwealth System of Higher Education (US) 2008-03-12 EP claimed
WO-2006091870-A2 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-08-31 WO claimed
EP-1896401-A2 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS Temple University of the Commonwealth System of Higher Education (US) 2008-03-12 EP disclosed
WO-2006091870-A2 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-08-31 WO disclosed