SCHEMBL28810587

SCHEMBL28810587

CN(C(Cc1ccc(C2CCCCC2)cc1)C(=O)Nc1ccc(COC(=O)c2ccccc2)c(OCc2ccccc2)c1)S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.44
PTPRS Q13332 6/20 0.44
STAT3 P40763 3/20 0.44
PTPN2 P17706 1/20 0.44
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
CYP19A1 P11511 1/20 0.38
PKLR P30613 1/20 0.36
PPIA P62937 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL28809685 0.91 STAT3 (0.42) PTPN1PTPRSSTAT3PTPN2CYP19A1
SCHEMBL27941489 0.87 STAT3 (0.42) PTPN1PTPRSSTAT3PTPN2CYP19A1
SCHEMBL28810588 0.81 STAT3 (0.67) PTPN1PTPRSSTAT3PTPN2
SCHEMBL27952959 0.81 STAT3 (0.62) PTPN1PTPRSSTAT3PTPN2
SCHEMBL15559484 0.78 STAT3 (0.53) STAT3CYP19A1
SCHEMBL15559430 0.76 STAT3 (0.53) STAT3
SCHEMBL15560941 0.76 STAT3 (0.60) STAT3
SCHEMBL12466793 0.75 STAT3 (0.51) STAT3
SCHEMBL28809687 0.72 STAT3 (0.65) PTPN1PTPRSSTAT3PTPN2
SCHEMBL10243372 0.71 STAT3 (0.73) PTPN1PTPRSSTAT3PTPN2

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