SCHEMBL6944269

SCHEMBL6944269

O=P(O)(Oc1ccc(CC(Cc2ccc(C(F)(F)P(=O)(O)O)cc2)(c2ccccc2)n2nnc3ccccc32)cc1)C(F)F

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 20/20 0.79
▸ PTPRC P08575 19/20 0.79
▸ PTPN2 P17706 18/20 0.79

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
SCHEMBL6944103 0.91 PTPN1 (0.80) PTPN1PTPRCPTPN2
SCHEMBL6946324 0.90 PTPN1 (0.70) PTPN1PTPRCPTPN2
SCHEMBL6944262 0.89 PTPN1 (1.00) PTPN1PTPRCPTPN2
SCHEMBL7169147 0.89 PTPN1 (0.78) PTPN1PTPRCPTPN2
SCHEMBL7163888 0.85 PTPN1 (1.00) PTPN1PTPRCPTPN2
SCHEMBL6946321 0.84 PTPN1 (1.00) PTPN1PTPRCPTPN2
SCHEMBL7529752 0.83 PTPN1 (0.56) PTPN1PTPRCPTPN2
SCHEMBL6944264 0.83 PTPN1 (0.83) PTPN1PTPRCPTPN2
SCHEMBL7528657 0.79 PTPN1 (0.84) PTPN1PTPRCPTPN2
SCHEMBL7169142 0.79 PTPN1 (1.00) 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 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
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