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SCHEMBL28810588

SCHEMBL28810588

CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(COC(=O)c2ccccc2)c(OCc2ccccc2)c1)S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 14/20 0.67
▸ PTPN1 P18031 8/20 0.67
▸ PTPRS Q13332 8/20 0.67
▸ PTPN2 P17706 3/20 0.67
▸ STAT1 P42224 1/20 0.46
▸ STAT5B P51692 1/20 0.46

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
SCHEMBL28809687 0.91 STAT3 (0.65) STAT3PTPN1PTPRSPTPN2STAT1
SCHEMBL10243372 0.91 STAT3 (0.73) STAT3PTPN1PTPRSPTPN2STAT1
SCHEMBL27941491 0.87 STAT3 (0.65) STAT3PTPN1PTPRSPTPN2STAT1
SCHEMBL10243478 0.81 STAT3 (0.72) STAT3PTPN1PTPRSPTPN2STAT1
SCHEMBL28810587 0.81 PTPN1 (0.44) STAT3PTPN1PTPRSPTPN2
SCHEMBL10243369 0.80 STAT3 (1.00) STAT3PTPN1PTPRSPTPN2STAT1
SCHEMBL10244000 0.77 STAT3 (0.71) STAT3PTPN1PTPRSPTPN2STAT1
SCHEMBL10246407 0.77 STAT3 (0.70) STAT3STAT1STAT5B
SCHEMBL10246400 0.75 STAT3 (0.58) STAT3PTPN1PTPRSPTPN2STAT1
SCHEMBL10243594 0.75 STAT3 (0.70) STAT3PTPN1PTPRSPTPN2STAT1

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