SCHEMBL6948682

SCHEMBL6948682

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

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.63
PTPRC P08575 3/20 0.50
PTPN2 P17706 1/20 0.36
GRB2 P62993 1/20 0.35
ESRRG P62508 1/20 0.34
CES1 P23141 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL7886821 0.94 PTPN1 (0.70) PTPN1PTPRCPTPN2ESRRGCES1
SCHEMBL6948156 0.88 PTPN1 (0.60) PTPN1PTPRCPTPN2
SCHEMBL6946310 0.84 PTPN1 (0.88) PTPN1PTPRCPTPN2
SCHEMBL7165440 0.84 PTPN1 (0.56) PTPN1PTPRCPTPN2
SCHEMBL7163909 0.83 PTPN1 (0.75) PTPN1PTPRCPTPN2
SCHEMBL7886824 0.80 PTPN1 (0.59) PTPN1PTPRCPTPN2
SCHEMBL7574524 0.79 PTPN1 (0.50) PTPN1PTPRCPTPN2
SCHEMBL7842114 0.79 PTPN1 (0.48) PTPN1PTPRCPTPN2ESRRGCES1
SCHEMBL7164018 0.79 PTPN1 (0.49) PTPN1PTPRCPTPN2
SCHEMBL6946050 0.78 PTPN1 (0.52) PTPN1PTPRCPTPN2GRB2

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
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