SCHEMBL17769786

SCHEMBL17769786

COC(=O)CCC1Nc2nc(Cl)ncc2NC1=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 8/20 0.34
NOD1 Q9Y239 7/20 0.34
USP2 O75604 1/20 0.32
GAA P10253 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
SCHEMBL17769424 0.88 GAA (0.38) USP2GAA
SCHEMBL17769425 0.88 GAA (0.38) USP2GAA
SCHEMBL16238380 0.82 NOD2 (0.36) NOD2NOD1USP2GAA
SCHEMBL16238379 0.82 NOD2 (0.36) NOD2NOD1USP2GAA
SCHEMBL21491887 0.81 GDA (0.33)
SCHEMBL21491573 0.79 JUN (0.32)
SCHEMBL17769658 0.78 ALDH1A1 (0.38) GAA
SCHEMBL17769793 0.78 GAA (0.33) NOD2NOD1GAA
SCHEMBL17769457 0.78 GAA (0.33) NOD2NOD1GAA
SCHEMBL17769355 0.74 ADAM17 (0.37) NOD2NOD1USP2

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
US-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2018-11-08 US disclosed
EP-3220918-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 EP disclosed
WO-2016079712-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 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-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NOD2 1814/4885NOD1 555/4885USP2 329/4885

“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.