SCHEMBL5162415

SCHEMBL5162415

CCC(C)OP(=O)(O)C(F)(F)c1ccc(CBr)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.42
PTPN2 P17706 5/20 0.40
PTPN6 P29350 5/20 0.40
PTPN11 Q06124 4/20 0.40
PGK1 P00558 2/20 0.40
PGK2 P07205 2/20 0.40
PTPRB P23467 3/20 0.40
PTPRC P08575 3/20 0.40
CDC25A P30304 1/20 0.40
PTPN5 P54829 5/20 0.38

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
SCHEMBL8812398 0.83 PTPN5 (0.40) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL3736625 0.81 PTPN1 (0.41) PTPN1PTPN2PTPRC
SCHEMBL3747190 0.81 PTPN1 (0.39) PTPN1PTPN2PTPRC
SCHEMBL8812977 0.81 PTPN5 (0.38) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL4955857 0.80 PTPN1 (0.40) PTPN1PTPN5
SCHEMBL7598727 0.79 PTPN1 (0.37) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL642521 0.79 ALDH1A1 (0.42) PGK1PGK2PTPN5
SCHEMBL5166721 0.78 PTPN1 (0.36) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL7164043 0.77 PTPN1 (0.44) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL642868 0.76 PGK1 (0.42) PTPN1PGK1PGK2PTPN5

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 7 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
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 (2 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 2/4885PTPN2 12/4885PTPN6 14/4885
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO PTPN1 13/4885PTPN2 24/4885PTPN6 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.