SCHEMBL6949855

SCHEMBL6949855

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.59
PTPN2 P17706 5/20 0.57
PTPN6 P29350 5/20 0.57
PTPN11 Q06124 4/20 0.57
PGK1 P00558 2/20 0.57
PGK2 P07205 2/20 0.57
PTPN5 P54829 1/20 0.51
PTPRC P08575 2/20 0.51
PTPRB P23467 2/20 0.51
CDC25A P30304 1/20 0.51
PTPRA P18433 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
SCHEMBL3385203 0.87 PTPN1 (0.66) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL12682225 0.80 PGK1 (0.64) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL330067 0.78 PTPN1 (0.70) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL5163589 0.75 PGK1 (0.67) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL6947737 0.74 PTPN1 (0.76) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL7831965 0.74 PTPN1 (0.75) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL3742704 0.74 PTPN1 (0.68) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL3966085 0.73 AKR1B1 (0.65)
SCHEMBL4316970 0.73 PTPN1 (1.00) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL7535721 0.73 PGK1 (0.69) 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 3 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 disclosed
WO-2000017211-A1 PHOSPHONIC ACIDS DERIVATIVES AS INHIBITORS OF PTP-1B MERCK FROSST CANADA & CO. (CA) 2000-03-30 WO disclosed