SCHEMBL7665155

SCHEMBL7665155

CC(C)CCOc1ccc(-c2ccc(CSCc3cccc(C(F)(F)P(=O)(O)O)c3)cc2)cc1P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPN5 P54829 14/20 0.44
▸ PTPN1 P18031 4/20 0.41
▸ PGK1 P00558 3/20 0.39
▸ PGK2 P07205 3/20 0.39
▸ PTPN2 P17706 1/20 0.36
▸ PTPRB P23467 1/20 0.36
▸ PTPN6 P29350 1/20 0.36
▸ PTPN11 Q06124 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
SCHEMBL7189804 0.93 PTPN5 (0.43) PTPN5PTPN1PTPN2PTPRBPTPN6
SCHEMBL7597545 0.87 PTPN1 (0.55) PTPN5PTPN1PTPN2
SCHEMBL7665158 0.84 KDM4E (0.36) PTPN1
SCHEMBL7189808 0.81 KDM4E (0.37) PTPN1PTPN6PTPN11
SCHEMBL7597546 0.77 PTPN1 (0.36) PTPN1
SCHEMBL7190920 0.76 PTPN1 (0.57) PTPN1PTPN2PTPN6PTPN11
SCHEMBL7189795 0.75 PTPN1 (0.54) PTPN5PTPN1PTPN2PTPN6PTPN11
SCHEMBL7558341 0.74 PTPN1 (0.67) PTPN1PTPN2
SCHEMBL7597536 0.73 PTPN1 (0.56) PTPN5PTPN1PTPN2
SCHEMBL7192726 0.70 PTPN1 (0.48) PTPN5PTPN1PGK1PGK2PTPN2

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
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