SCHEMBL7187774

SCHEMBL7187774

CC(S)(CCCc1ccccc1)c1ccc(C(F)(F)P(=O)(O)O)c(Br)c1.[NaH].[NaH]

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.44
PTPN2 P17706 4/20 0.44
PTPN6 P29350 1/20 0.44
PTPN11 Q06124 1/20 0.44
PTPRC P08575 4/20 0.40
FDPS P14324 3/20 0.37
PTPN5 P54829 1/20 0.37
GGPS1 O95749 1/20 0.37
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36

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
SCHEMBL7187785 0.73 PTPN1 (0.54) PTPN1PTPN2PTPN6PTPN11PTPRC
SCHEMBL7596773 0.72 PTPN1 (0.45) PTPN1PTPN2PTPN5PGK1PGK2
SCHEMBL7194765 0.72 PTPN1 (0.46) PTPN1PTPN2PGK1PGK2
SCHEMBL7169125 0.72 PTPN1 (0.55) PTPN1PTPN2PTPN6PTPN11PTPRC
SCHEMBL5395213 0.72 PTPN1 (0.50) PTPN1PTPN2PTPN6PTPN11PTPRC
SCHEMBL7197496 0.72 PTPN1 (0.44) PTPN1PTPN2PTPN6PTPN11PTPRC
SCHEMBL7595769 0.72 PTPN1 (0.45) PTPN1PTPN2PGK1PGK2
SCHEMBL3735747 0.71 PGK1 (0.52) PTPN1PTPN2PGK1PGK2
SCHEMBL27715888 0.71 PTPN1 (0.47) PTPN1PTPN2PTPRC
SCHEMBL7592972 0.71 PTPN1 (0.49) PTPN1PTPN2PTPRCPTPN5

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-1268494-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS Merck Frosst Canada & Co. (CA) 2003-01-02 EP disclosed
WO-2001070753-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-09-27 WO disclosed