SCHEMBL20733150

SCHEMBL20733150

CCN1CCCNc2nc(C(=O)OC)ccc21

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.39
▸ RPS6KA3 P51812 9/20 0.38
▸ RPS6KA2 Q15349 11/20 0.34
▸ MMP2 P08253 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33

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
SCHEMBL20733312 0.79 RPS6KA3 (0.34) PTGER4RPS6KA3MMP2MMP13MMP14
SCHEMBL20733294 0.78 RPS6KA3 (0.35) RPS6KA3
SCHEMBL16775802 0.75 SMN1; SMN2 (0.36) PTGER4RPS6KA3RPS6KA2
SCHEMBL30431358 0.70 ALDH1A1 (0.35) PTGER4
SCHEMBL20733299 0.68 EGLN2 (0.39) —
SCHEMBL19670139 0.67 MAP4K4 (0.37) —
SCHEMBL23530203 0.66 MAPK1 (0.40) PTGER4
SCHEMBL5298418 0.66 RYR2 (0.39) PTGER4
SCHEMBL29550457 0.66 MAPK1 (0.40) PTGER4
SCHEMBL24157233 0.65 KDM4E (0.44) —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US 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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PTGER4 3833/4885RPS6KA3 1949/4885RPS6KA2 1877/4885

“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.

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