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Sugi Predict / Compounds / SCHEMBL6945668

SCHEMBL6945668

SCHEMBL6945668

O=C(c1ccccc1)C(Cc1ccc(CP(=O)(OF)OF)cc1)c1ccccc1.O=P(O)(O)C(F)(F)c1ccc(CC(Cc2ccc(C(F)(F)P(=O)(O)O)cc2)(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 19/20 0.58
▸ PTPN2 P17706 4/20 0.46
▸ PTPRC P08575 3/20 0.46

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 0.93 PTPN1 (0.67) PTPN1PTPN2PTPRC
SCHEMBL7832783 0.88 PTPN1 (0.60) PTPN1PTPN2PTPRC
SCHEMBL7832780 0.84 PTPN1 (0.60) PTPN1PTPN2PTPRC
SCHEMBL7832767 0.80 PTPN1 (0.70) PTPN1PTPN2PTPRC
SCHEMBL6950197 0.79 PTPN1 (0.66) PTPN1PTPN2PTPRC
SCHEMBL7166520 0.76 PTPN1 (0.62) PTPN1PTPN2
SCHEMBL7166517 0.76 PTPN1 (1.00) PTPN1PTPN2
SCHEMBL5165050 0.66 PGK1 (0.50) PTPN1PTPN2PTPRC
SCHEMBL7622074 0.65 PTPN1 (0.71) PTPN1PTPN2
SCHEMBL7617987 0.64 PTPN1 (0.61) PTPN1PTPN2

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 6 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 claimed
EP-1115729-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B Merck Frosst Canada & Co. (CA) 2001-07-18 — — EP claimed
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 claimed
WO-2000017211-A1 PHOSPHONIC ACIDS DERIVATIVES AS INHIBITORS OF PTP-1B MERCK FROSST CANADA & CO. (CA) 2000-03-30 — — WO claimed
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