SCHEMBL6948100

SCHEMBL6948100

CC(C)(C)OC(=O)C(F)(F)Oc1ccc(CC(Cc2ccc(C(F)(F)P(=O)(O)O)cc2)(C(=O)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 18/20 0.69
PTPRC P08575 4/20 0.56
PTPN2 P17706 3/20 0.41
PTPN6 P29350 2/20 0.41
PTPN11 Q06124 2/20 0.41
PTPRB P23467 1/20 0.41
CDC25A P30304 1/20 0.41

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
SCHEMBL6944062 0.88 PTPN1 (0.78) PTPN1PTPRCPTPN2PTPN6PTPN11
SCHEMBL6951733 0.83 PTPN1 (1.00) PTPN1PTPRCPTPN2PTPN6PTPN11
SCHEMBL6946532 0.82 PTPN1 (0.97) PTPN1PTPRCPTPN2PTPN6PTPN11
SCHEMBL7167025 0.79 PTPN1 (0.42) PTPN1PTPRCPTPN2
SCHEMBL6943560 0.79 PTPN1 (1.00) PTPN1PTPRCPTPN2PTPN6PTPN11
SCHEMBL7159975 0.79 PTPN1 (0.80) PTPN1PTPRCPTPN2
SCHEMBL7164802 0.78 PTPN1 (0.41) PTPN1PTPRCPTPN2
SCHEMBL7884360 0.78 PTPN1 (0.75) PTPN1PTPRCPTPN2PTPN6PTPN11
SCHEMBL6946310 0.78 PTPN1 (0.88) PTPN1PTPRCPTPN2PTPN6PTPN11
SCHEMBL7165110 0.78 PTPN1 (0.69) PTPN1PTPRCPTPN2PTPN6PTPN11

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 6 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
EP-1115729-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B Merck Frosst Canada & Co. (CA) 2001-07-18 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
WO-2000017211-A1 PHOSPHONIC ACIDS DERIVATIVES AS INHIBITORS OF PTP-1B MERCK FROSST CANADA & CO. (CA) 2000-03-30 WO disclosed