SCHEMBL7188700

SCHEMBL7188700

CCC(OC)(c1cccc(C)c1)c1ccc2cc(-c3ccc(CSCc4ccc(C(F)(F)P(=O)(O)O)c(Br)c4)cc3)cc(P(=O)(O)O)c2n1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 18/20 0.43
▸ PTPN2 P17706 6/20 0.39
▸ PTPRC P08575 3/20 0.39
▸ PTPN5 P54829 2/20 0.33

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
SCHEMBL7203274 0.89 PTPN1 (0.45) PTPN1PTPN2PTPRC
SCHEMBL7194760 0.86 PTPN1 (0.44) PTPN1PTPN2PTPRCPTPN5
SCHEMBL7203277 0.77 PTPN1 (0.35) PTPN1PTPN2PTPRC
SCHEMBL7189116 0.76 PTPN1 (0.51) PTPN1PTPN2PTPRC
SCHEMBL7600045 0.75 PTPN1 (0.48) PTPN1PTPN2PTPRC
SCHEMBL7194763 0.74 PTPN1 (0.37) PTPN1PTPN2PTPRC
SCHEMBL7593820 0.73 PTPN1 (0.50) PTPN1PTPN2PTPRC
SCHEMBL7595283 0.73 PTPN1 (0.48) PTPN1PTPN2PTPRC
SCHEMBL7188314 0.72 PTPN1 (0.59) PTPN1PTPN2PTPRCPTPN5
SCHEMBL7597975 0.72 PTPN1 (0.47) PTPN1PTPN2PTPRC

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
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