SCHEMBL6944028

SCHEMBL6944028

CC(C)OCC(COC(C)C)(Cc1ccc(C(F)(F)O[PH](=O)OC(F)(F)c2ccc(CC(COC(C)C)(COC(C)C)Cc3ccc(C(F)(F)P(=O)(O)O)cc3)cc2)cc1)Cc1ccc(C(F)(F)P(=O)(O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.52
PTPN5 P54829 4/20 0.43
PTPN2 P17706 5/20 0.42
PTPN6 P29350 5/20 0.42
PTPN11 Q06124 4/20 0.42
PGK1 P00558 2/20 0.42
PGK2 P07205 2/20 0.42
PTPRC P08575 3/20 0.41
PTPRB P23467 3/20 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
SCHEMBL6941207 0.89 PTPN1 (0.62) PTPN1PTPN5PTPN2PTPN6PTPN11
SCHEMBL6944034 0.79 PTPN1 (0.51) PTPN1PTPN5PTPN2PTPN6PTPN11
SCHEMBL7840352 0.74 PTPN1 (0.43) PTPN1PTPN5PTPN2PTPN6PTPN11
SCHEMBL6944220 0.69 PGK1 (0.62) PTPN1PTPN5PTPN2PTPN6PTPN11
SCHEMBL6944073 0.69 PTPN1 (0.67) PTPN1PTPN5PTPN2PTPN6PTPN11
SCHEMBL6951738 0.69 PTPN1 (1.00) PTPN1PTPN5PTPN2PTPN6PTPN11
SCHEMBL6946520 0.64 PTPN1 (0.69) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL7817694 0.63 LMNA (0.40)
SCHEMBL7660736 0.63 PGK1 (0.67) PTPN1PTPN5PTPN2PTPN6PTPN11
SCHEMBL6947737 0.63 PTPN1 (0.76) PTPN1PTPN5PTPN2PTPN6PTPN11

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