SCHEMBL20418445

SCHEMBL20418445

CN([C@H](COCc1ccccc1)C(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)OCc2ccccc2)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 18/20 0.69

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
SCHEMBL20418452 0.94 STAT3 (0.62) STAT3
SCHEMBL20418448 0.90 STAT3 (0.57) STAT3
SCHEMBL16767353 0.84 STAT3 (0.69) STAT3
SCHEMBL20418387 0.81 STAT3 (1.00) STAT3
SCHEMBL20418347 0.81 STAT3 (0.69) STAT3
SCHEMBL20418411 0.81 STAT3 (0.78) STAT3
SCHEMBL20418431 0.80 STAT3 (0.63) STAT3
SCHEMBL20418363 0.80 STAT3 (1.00) STAT3
SCHEMBL15560941 0.79 STAT3 (0.60) STAT3
SCHEMBL20418531 0.79 STAT3 (0.88) STAT3

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-2018136935-A1 2-ARYLSULFONAMIDO-N-ARYLACETAMIDE DERIVATIZED STAT3 INHIBITORS UNIVERSITY OF HAWAII (US) 2018-07-26 WO disclosed