SCHEMBL28809685

SCHEMBL28809685

CN(C(Cc1ccc(C2CCCCC2)cc1)C(=O)Nc1ccc(COC(=O)c2ccccc2)c(OCc2ccccc2)c1)S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 5/20 0.42
PTPN1 P18031 7/20 0.42
PTPN2 P17706 3/20 0.42
PTPRS Q13332 3/20 0.42
CYP19A1 P11511 5/20 0.40
P2RX7 Q99572 1/20 0.36
MCHR1 Q99705 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
ADAM17 P78536 1/20 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
SCHEMBL27941489 0.93 STAT3 (0.42) STAT3PTPN1PTPN2PTPRSCYP19A1
SCHEMBL28810587 0.91 PTPN1 (0.44) STAT3PTPN1PTPN2PTPRSCYP19A1
SCHEMBL28809687 0.80 STAT3 (0.65) STAT3PTPN1PTPN2PTPRS
SCHEMBL15559484 0.80 STAT3 (0.53) STAT3CYP19A1
SCHEMBL28810537 0.79 STAT3 (0.60) STAT3PTPN1PTPN2PTPRS
SCHEMBL15559430 0.78 STAT3 (0.53) STAT3
SCHEMBL15560941 0.78 STAT3 (0.60) STAT3
SCHEMBL12466793 0.77 STAT3 (0.51) STAT3
SCHEMBL27941491 0.73 STAT3 (0.65) STAT3PTPN1PTPN2PTPRS
SCHEMBL28810588 0.72 STAT3 (0.67) STAT3PTPN1PTPN2PTPRS

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-103608010-A Substituted 2-hydroxy-4-(2-(phenylsulfonamido)acetamido)benzoic acid analogs as inhibitors of STAT proteins UNIV CENTRAL FLORIDA RES FOUND 2014-02-26 CN disclosed