SCHEMBL6947267

SCHEMBL6947267

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 1.00
PTPRC P08575 4/20 0.63
PTPN2 P17706 4/20 0.50
PTPN6 P29350 4/20 0.50
PTPN11 Q06124 3/20 0.50
PGK1 P00558 2/20 0.50
PGK2 P07205 2/20 0.50
PTPRB P23467 2/20 0.49
CDC25A P30304 1/20 0.49

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 0.87 PTPN1 (0.76) PTPN1PTPRCPTPN2PTPN6PTPN11
SCHEMBL6951017 0.85 PTPN1 (1.00) PTPN1PTPRCPTPN2PTPN6PTPN11
SCHEMBL6946462 0.85 PTPN1 (0.73) PTPN1PTPRCPTPN2PTPRB
SCHEMBL6946496 0.84 PTPN1 (0.76) PTPN1PTPRCPTPN2PTPN6PTPN11
SCHEMBL6943606 0.84 PTPN1 (0.72) PTPN1PTPRCPTPN2PTPN6PTPN11
SCHEMBL6941144 0.83 PTPN1 (0.90) PTPN1PTPRCPTPN2PTPN6PTPN11
SCHEMBL6944215 0.81 PTPN1 (0.67) PTPN1PTPRCPTPN2PTPN6PTPN11
SCHEMBL6946492 0.81 PGK1 (0.74) PTPN1PTPRCPTPN2PTPN6PTPN11
SCHEMBL7975332 0.79 PTPN1 (0.64) PTPN1PTPRCPTPN2PTPRB
SCHEMBL6949964 0.79 PTPN1 (0.72) PTPN1PTPRCPTPN2PTPN6PTPN11

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 7 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
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