SCHEMBL6946310

SCHEMBL6946310

O=C(O)C(F)(F)c1ccc(CC(Cc2ccc(C(F)(F)P(=O)(O)O)cc2)(C(=O)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.88
PTPRC P08575 2/20 0.67
PGK1 P00558 1/20 0.46
PGK2 P07205 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN6 P29350 1/20 0.46
PTPN11 Q06124 1/20 0.46

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
SCHEMBL6951733 0.94 PTPN1 (1.00) PTPN1PTPRCPGK1PGK2PTPN2
SCHEMBL6946532 0.92 PTPN1 (0.97) PTPN1PTPRCPGK1PGK2PTPN2
SCHEMBL6943560 0.89 PTPN1 (1.00) PTPN1PTPRCPGK1PGK2PTPN2
SCHEMBL6944037 0.87 PTPN1 (0.86) PTPN1PTPRCPGK1PGK2PTPN2
SCHEMBL6944062 0.85 PTPN1 (0.78) PTPN1PTPRCPTPN2PTPN6PTPN11
SCHEMBL6948682 0.84 PTPN1 (0.63) PTPN1PTPRCPTPN2
SCHEMBL7159975 0.84 PTPN1 (0.80) PTPN1PTPRCPTPN2
SCHEMBL6946012 0.84 PTPN1 (0.80) PTPN1PTPRC
SCHEMBL6944053 0.83 PTPN1 (0.80) PTPN1PTPRCPGK1PGK2PTPN2
SCHEMBL6948687 0.82 PTPN1 (0.78) PTPN1PTPRCPGK1PGK2PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115729-B1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B MERCK FROSST CANADA INC (CA) 2003-02-19 EP claimed
US-6174874-B1 ANTIDIABETIC,-CARCINOGENIC AGENTS; IMPROVING GLUCOSE TOLERANCE/INSULIN-SENSITIVITY; PREVENTING/TREATING OBESITY AND NEURODEGENERATIVE DISEASES; E.G. 1,3-BIS-((PHOSPHONODI-FLUOROMETHYL)PHENYL)-2-DICARBOXYPROPANE MERCK FROSST CANADA & CO. (CA) 2001-01-16 US claimed
EP-1115729-B1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B MERCK FROSST CANADA INC (CA) 2003-02-19 EP disclosed
US-6174874-B1 ANTIDIABETIC,-CARCINOGENIC AGENTS; IMPROVING GLUCOSE TOLERANCE/INSULIN-SENSITIVITY; PREVENTING/TREATING OBESITY AND NEURODEGENERATIVE DISEASES; E.G. 1,3-BIS-((PHOSPHONODI-FLUOROMETHYL)PHENYL)-2-DICARBOXYPROPANE MERCK FROSST CANADA & CO. (CA) 2001-01-16 US disclosed