SCHEMBL6941229

SCHEMBL6941229

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.41
PTPN2 P17706 5/20 0.39
PTPN6 P29350 5/20 0.39
PTPN11 Q06124 4/20 0.39
PGK1 P00558 2/20 0.39
PGK2 P07205 2/20 0.39
PTPRC P08575 4/20 0.38
PTPRB P23467 3/20 0.38
CDC25A P30304 1/20 0.38
ESR1 P03372 1/20 0.33
ESR2 Q92731 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
SCHEMBL6941175 0.82 PTPN1 (0.59) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL7840352 0.81 PTPN1 (0.43) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL6943956 0.79 PTPN1 (0.39) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL7886828 0.79 PTPN1 (0.55) PTPN1PTPRC
SCHEMBL6944220 0.79 PGK1 (0.62) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL6946462 0.77 PTPN1 (0.73) PTPN1PTPN2PTPRCPTPRB
SCHEMBL7592325 0.76 PTPN1 (0.50) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL7886821 0.76 PTPN1 (0.70) PTPN1PTPN2PTPRC
SCHEMBL6946475 0.76 PTPN1 (0.52) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL6946050 0.76 PTPN1 (0.52) PTPN1PTPN2PTPN6PTPN11PTPRC

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