SCHEMBL5163589

SCHEMBL5163589

O=P(O)(O)C(F)(F)c1ccc(CNCc2ccc(C(F)(F)P(=O)(O)O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.67
PGK2 P07205 3/20 0.67
PTPN1 P18031 13/20 0.66
PTPN2 P17706 5/20 0.66
PTPN6 P29350 5/20 0.66
PTPN11 Q06124 4/20 0.66
PTPRB P23467 3/20 0.58
PTPRC P08575 2/20 0.58
CDC25A P30304 1/20 0.58
PTPN5 P54829 1/20 0.55

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
SCHEMBL5163594 0.87 PGK1 (0.59) PGK1PGK2PTPN1PTPN2PTPN6
SCHEMBL20672233 0.80 PTPN1 (0.78) PGK1PGK2PTPN1PTPN2PTPN6
SCHEMBL7535721 0.79 PGK1 (0.69) PGK1PGK2PTPN1PTPN2PTPN6
SCHEMBL4316970 0.79 PTPN1 (1.00) PGK1PGK2PTPN1PTPN2PTPN6
SCHEMBL7660736 0.78 PGK1 (0.67) PGK1PGK2PTPN1PTPN2PTPN6
SCHEMBL19696719 0.77 PTPN1 (0.70) PGK1PGK2PTPN1PTPN2PTPN6
SCHEMBL3385203 0.76 PTPN1 (0.66) PGK1PGK2PTPN1PTPN2PTPN6
SCHEMBL7591715 0.76 PGK1 (0.64) PGK1PGK2PTPN1PTPN2PTPN6
SCHEMBL7188013 0.76 PGK1 (0.64) PGK1PGK2PTPN1PTPN2PTPN6
SCHEMBL12682225 0.76 PGK1 (0.64) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765332-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES Cengent Therapeutics, Inc. (US) 2007-03-28 EP disclosed
US-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 US disclosed
WO-2006009876-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-01-26 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-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases PTPA, PTPN1, PTPRS PGK1 1125/4885PGK2 958/4885PTPN1 2/4885

“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.