SCHEMBL6946039

SCHEMBL6946039

NS(=O)(=O)c1ccc(CC(COCc2ccccc2)(COCc2ccccc2)Cc2ccc(C(F)(F)P(=O)(O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 18/20 0.56
PTPRC P08575 4/20 0.53
PTPN2 P17706 4/20 0.52
PTPN6 P29350 4/20 0.52
PTPRB P23467 3/20 0.48
PTPN11 Q06124 3/20 0.48
CDC25A P30304 1/20 0.46
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA5B Q9Y2D0 1/20 0.42

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
SCHEMBL6944073 0.90 PTPN1 (0.67) PTPN1PTPRCPTPN2PTPN6PTPRB
SCHEMBL7886902 0.85 PTPN1 (0.43) PTPN1PTPRCPTPN2PTPN6CA2
SCHEMBL6946520 0.83 PTPN1 (0.69) PTPN1PTPRCPTPN2PTPN6PTPRB
SCHEMBL7886903 0.82 PTPN1 (0.41) PTPN1PTPRCPTPN2PTPN6PTPRB
SCHEMBL7888258 0.82 PTPN1 (0.81) PTPN1PTPRCPTPN2PTPN6PTPRB
SCHEMBL6946043 0.81 CA2 (0.45) CA2CA12CA1CA4CA5A
SCHEMBL6946012 0.75 PTPN1 (0.80) PTPN1PTPRC
SCHEMBL6952150 0.71 PTPN1 (1.00) PTPN1PTPRCPTPN2PTPN6PTPRB
SCHEMBL6946050 0.70 PTPN1 (0.52) PTPN1PTPRCPTPN2PTPN6PTPRB
SCHEMBL6943717 0.69 CA2 (0.38) PTPRBCA2CA12CA1CA4

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 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
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