SCHEMBL5740580

SCHEMBL5740580

O=C(O)CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)C1(c2c(Cc3ccccc3)oc3ccccc23)C=CC(c2ccccc2)C=C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.36
PTPN2 P17706 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
KEAP1 Q14145 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 0.32
TRPM8 Q7Z2W7 2/20 0.32
DAGLA Q9Y4D2 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
ATM Q13315 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL5743846 0.90 TAS2R14 (0.36) PTPN1KEAP1MTNR1AMTNR1BMEN1
SCHEMBL5740586 0.78 PTPN1 (0.36) PTPN1PTPN2NPSR1KEAP1MTNR1A
SCHEMBL5743318 0.76 KEAP1 (0.37) NPSR1KEAP1MEN1KMT2ADAGLA
SCHEMBL4455545 0.74 PTPN1 (0.49) PTPN1KEAP1
SCHEMBL5744955 0.73 MTNR1A (0.35) PTPN1KEAP1MTNR1AMTNR1B
SCHEMBL4267879 0.70 PTPN1 (0.34) PTPN1MTNR1AMTNR1B
SCHEMBL5742273 0.70 PTPN1 (0.39) PTPN1MTNR1AMTNR1B
SCHEMBL4267916 0.68 ECE1 (0.37) PTPN1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL5740879 0.68 PTPN2 (0.36) PTPN1PTPN2NPSR1KEAP1MEN1
SCHEMBL4854844 0.67 PTPN1 (0.43) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006525365-A 2006-11-09 JP claimed
EP-1620422-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-01 EP claimed
WO-2004099170-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO claimed