SCHEMBL6946012

SCHEMBL6946012

NS(=O)(=O)c1ccc(CC(Cc2ccc(C(F)(F)P(=O)(O)O)cc2)(C(=O)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.80
PTPRC P08575 3/20 0.62
MAOA P21397 1/20 0.44

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
SCHEMBL6951733 0.89 PTPN1 (1.00) PTPN1PTPRC
SCHEMBL6946532 0.88 PTPN1 (0.97) PTPN1PTPRC
SCHEMBL6943560 0.85 PTPN1 (1.00) PTPN1PTPRC
SCHEMBL6946310 0.84 PTPN1 (0.88) PTPN1PTPRC
SCHEMBL6944037 0.83 PTPN1 (0.86) PTPN1PTPRC
SCHEMBL7886888 0.82 PTPN1 (0.53) PTPN1PTPRCMAOA
SCHEMBL6951395 0.81 PTPN1 (0.51) PTPN1PTPRCMAOA
SCHEMBL6946443 0.81 PTPN1 (0.53) PTPN1PTPRC
SCHEMBL7165563 0.81 PTPN1 (0.77) PTPN1PTPRC
SCHEMBL7159975 0.80 PTPN1 (0.80) PTPN1PTPRC

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-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