SCHEMBL6950197

SCHEMBL6950197

O=P(O)(O)C(F)(F)c1ccc(CC(Cc2ccc(C(F)(F)P(=O)(O)O)cc2)(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.66
PTPRC P08575 11/20 0.66
PTPN2 P17706 10/20 0.66
PTPN6 P29350 2/20 0.46
PTPN11 Q06124 2/20 0.46
PGK1 P00558 2/20 0.46
PGK2 P07205 2/20 0.46
PTPRB P23467 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
SCHEMBL6945644 0.85 PTPN1 (0.67) PTPN1PTPRCPTPN2
SCHEMBL7832780 0.73 PTPN1 (0.60) PTPN1PTPRCPTPN2
SCHEMBL4323249 0.73 PTPN1 (0.80) PTPN1PTPRCPTPN2
SCHEMBL16871360 0.70 CASR (0.48) PTPN1PTPRCPTPN2
SCHEMBL1666355 0.67 CASR (0.50)
SCHEMBL6944220 0.67 PGK1 (0.62) PTPN1PTPRCPTPN2PTPN6PTPN11
SCHEMBL6946496 0.66 PTPN1 (0.76) PTPN1PTPRCPTPN2PTPN6PTPN11
SCHEMBL27820612 0.66 CASR (0.49)
SCHEMBL6947737 0.66 PTPN1 (0.76) PTPN1PTPRCPTPN2PTPN6PTPN11
SCHEMBL5720317 0.65 CASR (0.51)

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 2 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
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