SCHEMBL7179735

SCHEMBL7179735

O=P(Cc1ccc(CSCc2ccc3ccc(C(F)(F)P(=O)(O)O)cc3c2)cc1)(OF)OF

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 13/20 0.56
▸ PGK1 P00558 4/20 0.47
▸ PGK2 P07205 4/20 0.47
▸ PTPN6 P29350 7/20 0.41
▸ PTPN2 P17706 5/20 0.41
▸ PTPN11 Q06124 5/20 0.41
▸ PTPRC P08575 5/20 0.40
▸ PTPRB P23467 3/20 0.40
▸ CDC25A P30304 1/20 0.40
▸ PTPN22 Q9Y2R2 2/20 0.40
▸ EPM2A O95278 1/20 0.40
▸ CDC14A Q9UNH5 1/20 0.40

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
SCHEMBL5003956 0.89 PTPN1 (0.67) PTPN1PGK1PGK2PTPN6PTPN2
SCHEMBL7660739 0.89 PGK1 (0.59) PTPN1PGK1PGK2PTPN6PTPN2
SCHEMBL7591720 0.88 PGK1 (0.57) PTPN1PGK1PGK2PTPN6PTPN2
SCHEMBL7179732 0.88 PTPN1 (0.69) PTPN1PGK1PGK2PTPN6PTPN2
SCHEMBL7660736 0.76 PGK1 (0.67) PTPN1PGK1PGK2PTPN6PTPN2
SCHEMBL7179740 0.76 PTPN1 (0.48) PTPN1PGK1PGK2PTPN6PTPN2
SCHEMBL7183073 0.75 PGK1 (0.40) PTPN1PGK1PGK2PTPN6PTPN2
SCHEMBL7591715 0.75 PGK1 (0.64) PTPN1PGK1PGK2PTPN6PTPN2
SCHEMBL4316972 0.75 PTPN1 (0.74) PTPN1PGK1PGK2PTPN6PTPN2
SCHEMBL5003952 0.75 PTPN1 (1.00) PTPN1PGK1PGK2PTPN6PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268495-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA INC. (CA) 2003-01-02 — — EP claimed
US-6465444-B2 PROTEIN TYROSINE PHOSPHATASES(PTP-1B); ANTIDIABETIC, ANTITUMOR AND ANOREXIGENIC AGENTS; COMBINATION THERAPY MERCK FROSST CANADA & CO. 2002-10-15 — — US claimed
US-20020002149-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors MERCK FROSST CANADA LTD. (CA) 2002-01-03 — — US claimed
WO-2001070754-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-09-27 — — WO claimed
EP-1268495-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA INC. (CA) 2003-01-02 — — EP disclosed
US-6465444-B2 PROTEIN TYROSINE PHOSPHATASES(PTP-1B); ANTIDIABETIC, ANTITUMOR AND ANOREXIGENIC AGENTS; COMBINATION THERAPY MERCK FROSST CANADA & CO. 2002-10-15 — — US disclosed
US-20020002149-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors MERCK FROSST CANADA LTD. (CA) 2002-01-03 — — US disclosed
WO-2001070754-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-09-27 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020002149-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO PTPN1 13/4885PGK1 615/4885PGK2 588/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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