SCHEMBL5166578

SCHEMBL5166578

O=C(OCc1ccccc1)N(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)Cc1ccc(C(F)(F)P(=O)(O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.64
PTPRC P08575 5/20 0.64
PTPN2 P17706 6/20 0.56
PTPN6 P29350 5/20 0.56
PTPN11 Q06124 4/20 0.56
PTPRB P23467 3/20 0.56
CDC25A P30304 1/20 0.53
PGK1 P00558 1/20 0.48
PGK2 P07205 1/20 0.48

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
SCHEMBL5166585 0.91 PTPN1 (0.55) PTPN1PTPRCPTPN2PTPN6PTPN11
SCHEMBL27364470 0.82 CCR6 (0.55)
SCHEMBL3742704 0.80 PTPN1 (0.68) PTPN1PTPRCPTPN2PTPN6PTPN11
SCHEMBL5165042 0.80 PTPN1 (0.59) PTPN1PTPRCPTPN2PTPN6PTPN11
SCHEMBL6951489 0.78 PTPN1 (1.00) PTPN1PTPRCPTPN2PTPN6PTPN11
SCHEMBL6952067 0.78 PTPN1 (1.00) PTPN1PTPRCPTPN2PTPN6PTPN11
Carbamic Acid SCHEMBL29254315 0.77 CCR6 (0.51)
SCHEMBL20380501 0.76 CCR6 (0.48)
SCHEMBL15965959 0.74 CCR6 (0.51)
SCHEMBL6951017 0.73 PTPN1 (1.00) PTPN1PTPRCPTPN2PTPN6PTPN11

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 PTPN1 2/4885PTPRC 9/4885PTPN2 12/4885

“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.