SCHEMBL6946475

SCHEMBL6946475

CC(C)(C)OP(=O)(Cc1ccc(CC(Cc2ccc(C(F)(F)P(=O)(OC(C)(C)C)OC(C)(C)C)cc2)(C(=O)O)C(=O)O)cc1)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.52
PTPRC P08575 5/20 0.43
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
PTPN2 P17706 4/20 0.33
PTPN6 P29350 4/20 0.33
PTPN11 Q06124 3/20 0.33
PTPRB P23467 2/20 0.33
CDC25A P30304 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL6941175 0.93 PTPN1 (0.59) PTPN1PTPRCPGK1PGK2PTPN2
SCHEMBL7886828 0.89 PTPN1 (0.55) PTPN1PTPRC
SCHEMBL6948495 0.85 PTPN1 (0.51) PTPN1PTPRC
SCHEMBL6946462 0.84 PTPN1 (0.73) PTPN1PTPRCPTPN2PTPRB
SCHEMBL6941229 0.76 PTPN1 (0.41) PTPN1PTPRCPGK1PGK2PTPN2
SCHEMBL7592325 0.75 PTPN1 (0.50) PTPN1PTPRCPGK1PGK2PTPN2
SCHEMBL7886821 0.74 PTPN1 (0.70) PTPN1PTPRCPTPN2
SCHEMBL6946538 0.73 PTPN1 (0.55) PTPN1PTPRCPTPN2PTPRBLMNA
SCHEMBL6947737 0.73 PTPN1 (0.76) PTPN1PTPRCPGK1PGK2PTPN2
SCHEMBL6946492 0.73 PGK1 (0.74) PTPN1PTPRCPGK1PGK2PTPN2

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 4 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 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