SCHEMBL6946531

SCHEMBL6946531

O=C1c2ccccc2C(=O)C1(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)Cc1ccc(C(F)(F)P(=O)(O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 13/20 0.55
▸ PTPN2 P17706 5/20 0.55
▸ PTPN6 P29350 5/20 0.55
▸ PTPN11 Q06124 4/20 0.55
▸ PGK1 P00558 3/20 0.55
▸ PGK2 P07205 3/20 0.55
▸ PTPRB P23467 3/20 0.52
▸ PTPRC P08575 2/20 0.52
▸ PTPN5 P54829 2/20 0.50
▸ CDC25A P30304 1/20 0.50

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
SCHEMBL7890197 0.89 PGK1 (0.51) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL6946534 0.86 PTPN1 (0.47) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL7535721 0.72 PGK1 (0.69) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL4316970 0.72 PTPN1 (1.00) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL5163589 0.70 PGK1 (0.67) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL7660736 0.70 PGK1 (0.67) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL6428108 0.70 PTPN1 (1.00) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL7188013 0.69 PGK1 (0.64) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL7591715 0.69 PGK1 (0.64) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL3385203 0.69 PTPN1 (0.66) PTPN1PTPN2PTPN6PTPN11PGK1

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
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