SCHEMBL6946462

SCHEMBL6946462

COC(=O)C(Cc1ccc(C(F)(F)P(=O)(OC(C)(C)C)OC(C)(C)C)cc1)(Cc1ccc(C(F)(F)P(=O)(OC(C)(C)C)OC(C)(C)C)cc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.73
PTPRC P08575 3/20 0.46
PTPRB P23467 8/20 0.43
PTPN2 P17706 2/20 0.43
PTPRA P18433 1/20 0.43
PTPRG P23470 1/20 0.37
ACP1 P24666 1/20 0.37
PPARA Q07869 1/20 0.36

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
SCHEMBL6941175 0.91 PTPN1 (0.59) PTPN1PTPRCPTPRBPTPN2
SCHEMBL7886828 0.88 PTPN1 (0.55) PTPN1PTPRCPPARA
SCHEMBL6946538 0.86 PTPN1 (0.55) PTPN1PTPRCPTPRBPTPN2PTPRA
SCHEMBL6947267 0.85 PTPN1 (1.00) PTPN1PTPRCPTPRBPTPN2
SCHEMBL6946475 0.84 PTPN1 (0.52) PTPN1PTPRCPTPRBPTPN2
SCHEMBL6948495 0.83 PTPN1 (0.51) PTPN1PTPRC
SCHEMBL6941229 0.77 PTPN1 (0.41) PTPN1PTPRCPTPRBPTPN2
SCHEMBL7592325 0.76 PTPN1 (0.50) PTPN1PTPRCPTPRBPTPN2PPARA
SCHEMBL7975332 0.75 PTPN1 (0.64) PTPN1PTPRCPTPRBPTPN2PTPRA
SCHEMBL7886821 0.75 PTPN1 (0.70) PTPN1PTPRCPTPN2

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 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