SCHEMBL5743846

SCHEMBL5743846

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 3/20 0.36
KEAP1 Q14145 1/20 0.35
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35
DAGLA Q9Y4D2 2/20 0.33
PTPN1 P18031 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
OPRM1 P35372 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL5740580 0.90 PTPN1 (0.36) KEAP1DAGLAPTPN1MEN1KMT2A
SCHEMBL5743318 0.85 KEAP1 (0.37) TAS2R14KEAP1PER2CRY1CRY2
SCHEMBL4267916 0.78 ECE1 (0.37) PTPN1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL5744955 0.77 MTNR1A (0.35) KEAP1PTPN1MTNR1AMTNR1B
SCHEMBL5743849 0.77 TAS2R14 (0.35) TAS2R14KEAP1PER2CRY1CRY2
SCHEMBL4267879 0.75 PTPN1 (0.34) PTPN1MTNR1AMTNR1B
SCHEMBL4260725 0.72 ALDH1A1 (0.39) PTPN1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL4261637 0.71 PTPN1 (0.38) PTPN1MTNR1AMTNR1B
SCHEMBL5742273 0.70 PTPN1 (0.39) PTPN1MTNR1AMTNR1B
SCHEMBL4275265 0.66 MMP2 (0.37) PTPN1MEN1KMT2AMTNR1AMTNR1B

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