SCHEMBL6946492

SCHEMBL6946492

O=C(O)C(Cc1ccc(CP(=O)(O)O)cc1)(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.74
PGK2 P07205 3/20 0.74
PTPN1 P18031 15/20 0.67
PTPRC P08575 2/20 0.59
PTPN2 P17706 3/20 0.53
PTPN6 P29350 3/20 0.53
PTPN11 Q06124 2/20 0.53
PTPRB P23467 1/20 0.48
CDC25A P30304 1/20 0.48
PTPN5 P54829 1/20 0.47

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
SCHEMBL6947737 0.93 PTPN1 (0.76) PGK1PGK2PTPN1PTPRCPTPN2
SCHEMBL6946496 0.90 PTPN1 (0.76) PGK1PGK2PTPN1PTPRCPTPN2
SCHEMBL6944215 0.86 PTPN1 (0.67) PGK1PGK2PTPN1PTPRCPTPN2
SCHEMBL6943702 0.82 PTPN1 (0.88) PGK1PGK2PTPN1PTPRCPTPN2
SCHEMBL6951072 0.81 PTPN1 (0.65) PGK1PGK2PTPN1PTPRCPTPN2
SCHEMBL6949964 0.81 PTPN1 (0.72) PGK1PGK2PTPN1PTPRCPTPN2
SCHEMBL6947267 0.81 PTPN1 (1.00) PGK1PGK2PTPN1PTPRCPTPN2
SCHEMBL6944081 0.80 PTPN1 (0.64) PGK1PGK2PTPN1PTPRCPTPN2
SCHEMBL6946525 0.78 PTPN1 (0.64) PGK1PGK2PTPN1PTPRCPTPN2
SCHEMBL6952067 0.74 PTPN1 (1.00) PGK1PGK2PTPN1PTPRCPTPN2

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 8 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
EP-1115729-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B Merck Frosst Canada & Co. (CA) 2001-07-18 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
WO-2000017211-A1 PHOSPHONIC ACIDS DERIVATIVES AS INHIBITORS OF PTP-1B MERCK FROSST CANADA & CO. (CA) 2000-03-30 WO 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