SCHEMBL5740586

SCHEMBL5740586

O=C(O)CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)C1(c2c(Cc3ccccc3)oc3ccccc23)C=CC(c2ccccc2)=CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.36
PTPN2 P17706 2/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
PTPRC P08575 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN9 P43378 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN11 Q06124 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
GPR52 Q9Y2T5 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DAGLA Q9Y4D2 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
KCNH2 Q12809 2/20 0.32
KEAP1 Q14145 1/20 0.32
CA12 O43570 2/20 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
SCHEMBL5743849 0.90 TAS2R14 (0.35) PTPN1PTPN2MTNR1AMTNR1BPTPN6
SCHEMBL5740879 0.88 PTPN2 (0.36) PTPN1PTPN2PTPRCPTPN6PTPN9
SCHEMBL5743012 0.86 PTPN1 (0.35) PTPN1DAGLACYP3A4CYP2D6CYP2C9
SCHEMBL5743320 0.78 KEAP1 (0.35) PTPN1PTPN2PTPN6DUSP3PTPN11
SCHEMBL5740580 0.78 PTPN1 (0.36) PTPN1PTPN2MTNR1AMTNR1BNPSR1
SCHEMBL4267918 0.74 PTPN1 (0.36) PTPN1MTNR1AMTNR1BDUSP3
SCHEMBL4260729 0.73 PTPN1 (0.35) PTPN1MTNR1AMTNR1BDUSP3
SCHEMBL4455545 0.73 PTPN1 (0.49) PTPN1DUSP3KEAP1
SCHEMBL4267881 0.72 PTPN1 (0.34) PTPN1MTNR1AMTNR1BDUSP3
SCHEMBL4261640 0.71 PTPN1 (0.38) PTPN1MTNR1AMTNR1BDUSP3

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