SCHEMBL7188019

SCHEMBL7188019

O=P(Cc1ccc(CS(=O)(=O)Cc2ccc(C(F)(F)P(=O)(O)O)cc2)cc1)(OF)OF

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 2/20 0.57
PGK2 P07205 2/20 0.57
PTPN1 P18031 16/20 0.50
PTPN2 P17706 5/20 0.50
PTPN6 P29350 5/20 0.50
PTPN11 Q06124 4/20 0.50
PTPRB P23467 3/20 0.49
PTPRC P08575 3/20 0.49
CDC25A P30304 1/20 0.49
PTPN5 P54829 1/20 0.42

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
SCHEMBL7188013 0.87 PGK1 (0.64) PGK1PGK2PTPN1PTPN2PTPN6
SCHEMBL4316972 0.83 PTPN1 (0.74) PGK1PGK2PTPN1PTPN2PTPN6
SCHEMBL7660739 0.82 PGK1 (0.59) PGK1PGK2PTPN1PTPN2PTPN6
SCHEMBL5163594 0.82 PGK1 (0.59) PGK1PGK2PTPN1PTPN2PTPN6
SCHEMBL7598745 0.82 PTPN1 (0.49) PGK1PGK2PTPN1PTPN2PTPRC
SCHEMBL7591720 0.81 PGK1 (0.57) PGK1PGK2PTPN1PTPN2PTPN6
SCHEMBL5892025 0.80 PGK1 (0.56) PGK1PGK2PTPN1PTPN2PTPN6
SCHEMBL5003956 0.77 PTPN1 (0.67) PGK1PGK2PTPN1PTPN2PTPN6
SCHEMBL5163005 0.76 PTPN5 (0.57) PGK1PGK2PTPN1PTPN2PTPN6
SCHEMBL7890197 0.76 PGK1 (0.51) PGK1PGK2PTPN1PTPN2PTPN6

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 4 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
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 US disclosed
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors MERCK FROSST CANADA LTD. (CA) 2002-07-11 US disclosed
WO-2001070753-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-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO PGK1 615/4885PGK2 588/4885PTPN1 13/4885

“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.