SCHEMBL7659262

SCHEMBL7659262

O=P(O)(Oc1ccc(CSCc2ccc(C(F)(F)P(=O)(O)O)c(Br)c2)cc1Br)C(F)F

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.55
PTPN2 P17706 6/20 0.45
PTPRC P08575 2/20 0.39

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
SCHEMBL7595420 0.90 PTPN1 (0.45) PTPN1PTPN2PTPRC
SCHEMBL7599756 0.86 PTPN1 (0.39) PTPN1PTPN2
SCHEMBL7189550 0.86 PTPN1 (0.47) PTPN1PTPN2PTPRC
SCHEMBL7193736 0.85 PTPN1 (0.38) PTPN1
SCHEMBL7183011 0.85 PTPN1 (0.38) PTPN1
SCHEMBL7593008 0.85 PTPN1 (0.39) PTPN1
SCHEMBL7659253 0.85 PTPN1 (0.70) PTPN1PTPN2PTPRC
SCHEMBL7594345 0.84 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL7189856 0.84 PTPN1 (0.39) PTPN1PTPN2
SCHEMBL7595556 0.84 TP53 (0.37) PTPN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 US claimed