SCHEMBL5517356

SCHEMBL5517356

[CH2]c1ccc(C(F)(F)P(=O)(O)NC(C)C(=O)OCC)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 5/20 0.40
BTN3A1 O00481 4/20 0.35
PTPN1 P18031 6/20 0.34
NOTUM Q6P988 1/20 0.33
EPHX2 P34913 1/20 0.33
PPARG P37231 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MMP8 P22894 1/20 0.32

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
SCHEMBL5998435 0.80 PTPN2 (0.35) PTPN2BTN3A1EPHX2PPARGKDM4E
SCHEMBL5499845 0.71 PTPN1 (0.51) PTPN2PTPN1
SCHEMBL5507260 0.70 PTPN2 (0.34) PTPN2PTPN1NOTUM
SCHEMBL5507258 0.68 PTPN1 (0.37) PTPN2PTPN1NOTUM
SCHEMBL12746431 0.65 BTN3A1 (0.39) BTN3A1MMP8
SCHEMBL13910219 0.64 PTPN1 (0.49) PTPN2PTPN1NOTUMKDM4E
SCHEMBL22837347 0.63 POLB (0.50) BTN3A1KDM4EMMP8
SCHEMBL27494852 0.63 MGAM (0.39) BTN3A1
SCHEMBL28273778 0.63 MGAM (0.39) BTN3A1
SCHEMBL20181544 0.63 MGAM (0.39) BTN3A1

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-1786421-A2 OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES Cengent Therapeutics, Inc. (US) 2007-05-23 EP claimed
US-20060135483-A1 Oxygen/nitrogen heterocycle inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 US claimed
WO-2006017124-A2 OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-02-16 WO claimed

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-20060135483-A1 Oxygen/nitrogen heterocycle inhibitors of tyrosine phosphatases PTPRO, PTPRG, PTPN1 PTPN2 24/4885BTN3A1 753/4885PTPN1 3/4885

“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.