SCHEMBL5167152

SCHEMBL5167152

CCOP(=O)(OCC)C(F)(F)c1ccc(CN(Cc2ccc(C(F)(F)P(=O)(O)OC(C)CC)cc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
NCOR2 Q9Y618 2/20 0.43
PTPN1 P18031 9/20 0.34
PTPN2 P17706 1/20 0.32
PTPN6 P29350 1/20 0.32
PTPN11 Q06124 1/20 0.32
BACE1 P56817 1/20 0.31
AKT1 P31749 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
CETP P11597 1/20 0.30

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
SCHEMBL5167139 0.88 HDAC3 (0.52) HDAC3HDAC1HDAC2NCOR2PTPN1
SCHEMBL5179159 0.86 HDAC1 (0.41) HDAC3HDAC1HDAC2PTPN1
SCHEMBL5166721 0.85 PTPN1 (0.36) PTPN1PTPN2PTPN6PTPN11
SCHEMBL5165297 0.81 PTPN5 (0.39) PTPN1
SCHEMBL7598727 0.81 PTPN1 (0.37) PTPN1PTPN2PTPN6PTPN11
SCHEMBL5167247 0.78 PTPN1 (0.42) PTPN1
SCHEMBL5165519 0.76 PTPN1 (0.42) PTPN1
SCHEMBL5164825 0.75 PTPN1 (0.39) PTPN1
SCHEMBL5162415 0.72 PTPN1 (0.42) PTPN1PTPN2PTPN6PTPN11
SCHEMBL5179142 0.72 HDAC1 (0.51) HDAC3HDAC1HDAC2PTPN1

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 HDAC3 3735/4885HDAC1 2727/4885HDAC2 4127/4885

“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.