Sugi Predict

Sugi Predict / Compounds / SCHEMBL4053340

SCHEMBL4053340

SCHEMBL4053340

O=C1N=C(Nc2ccc(NS(=O)(=O)C(F)(F)F)cc2)SC1=Cc1ccc(OCCc2ccc(F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ ALOX5 P09917 8/20 0.39
▸ AKR1B1 P15121 1/20 0.35
▸ PTPN22 Q9Y2R2 1/20 0.35
▸ ENPP2 Q13822 1/20 0.35
▸ PTPN2 P17706 1/20 0.35
▸ ACP1 P24666 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35

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
SCHEMBL4053337 1.00 PTPN1 (0.40) PTPN1HPGDALOX5AKR1B1PTPN22
SCHEMBL4052873 0.92 PTPN1 (0.49) PTPN1HPGDALOX5ENPP2
SCHEMBL4052876 0.92 PTPN1 (0.49) PTPN1HPGDALOX5ENPP2
SCHEMBL4050515 0.84 HPGD (0.48) PTPN1HPGDALOX5
SCHEMBL4054943 0.84 HPGD (0.48) PTPN1HPGDALOX5PTGS1PTGS2
SCHEMBL4054941 0.84 HPGD (0.48) PTPN1HPGDALOX5PTGS1PTGS2
SCHEMBL4050517 0.84 HPGD (0.48) PTPN1HPGDALOX5
SCHEMBL4052918 0.84 ALOX5 (0.52) PTPN1HPGDALOX5ENPP2
SCHEMBL4052922 0.84 ALOX5 (0.52) PTPN1HPGDALOX5ENPP2
SCHEMBL4054034 0.84 ALOX5 (0.46) PTPN1HPGDALOX5ENPP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 — — WO claimed
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 — — WO disclosed