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Sugi Predict / Compounds / SCHEMBL10246419

SCHEMBL10246419

SCHEMBL10246419

C=C(N)c1ccc(N2CCC(c3ccc(CN(C(=O)CN(C)S(=O)(=O)c4ccc(C)cc4)c4ccc(C(=O)O)c(O)c4)cc3)CC2)cc1

nearest known ligand 0.90

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 20/20 0.90
▸ STAT5B P51692 5/20 0.90
▸ STAT1 P42224 4/20 0.90
▸ PTPN2 P17706 1/20 0.59
▸ PTPN1 P18031 1/20 0.59
▸ PTPRS Q13332 1/20 0.59

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
SCHEMBL15215032 0.94 STAT3 (1.00) STAT3STAT5BSTAT1PTPN2PTPN1
SCHEMBL10246169 0.94 STAT3 (0.87) STAT3STAT5BSTAT1
SCHEMBL10246024 0.94 STAT3 (0.91) STAT3STAT5BSTAT1
SCHEMBL15215011 0.92 STAT3 (0.88) STAT3STAT5BSTAT1
SCHEMBL8282961 0.89 STAT3 (0.82) STAT3STAT5BSTAT1
SCHEMBL8539646 0.88 STAT3 (1.00) STAT3STAT5BSTAT1PTPN2PTPN1
SCHEMBL10243467 0.85 STAT3 (0.87) STAT3STAT5BSTAT1PTPN2PTPN1
SCHEMBL10246328 0.85 STAT3 (0.82) STAT3STAT5BSTAT1PTPN2PTPN1
SCHEMBL10246184 0.85 STAT3 (0.76) STAT3STAT5BSTAT1
SCHEMBL10246029 0.85 STAT3 (0.76) STAT3STAT5BSTAT1

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
WO-2012018868-A1 SUBSTITUTED 2-HYDROXY-4-(2-(PHENYLSULFONAMIDO)ACETAMIDO)BENZOIC ACID ANALOGS AS INHIBITORS OF STAT PROTEINS UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-02-09 — — WO disclosed