SCHEMBL17769780

SCHEMBL17769780

O=C(Nc1cnnc(OC[C@@H](O)CO)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ncc2N2CC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 13/20 0.38
▸ BRAF P15056 9/20 0.35
▸ TRPV1 Q8NER1 2/20 0.34
▸ CPT2 P23786 2/20 0.33
▸ CPT1A P50416 2/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ CPT1B Q92523 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL17769781 1.00 RAF1 (0.38) RAF1BRAFTRPV1CPT2CPT1A
SCHEMBL20550507 1.00 RAF1 (0.38) RAF1BRAFTRPV1CPT2CPT1A
SCHEMBL20550506 0.96 RAF1 (0.37) RAF1BRAFTRPV1CPT2CPT1A
SCHEMBL17769637 0.96 RAF1 (0.37) RAF1BRAFTRPV1CPT2CPT1A
SCHEMBL17769814 0.96 RAF1 (0.37) RAF1BRAFTRPV1CPT2CPT1A
Hydrochloric Acid SCHEMBL20550370 0.92 RAF1 (0.37) RAF1BRAFTRPV1CPT2CPT1A
Hydrochloric Acid SCHEMBL17769614 0.92 RAF1 (0.37) RAF1BRAFTRPV1CPT2CPT1A
SCHEMBL20550448 0.91 RAF1 (0.37) RAF1BRAFTRPV1CPT2CPT1A
SCHEMBL17778543 0.91 RAF1 (0.37) RAF1BRAFTRPV1CPT2CPT1A
SCHEMBL20550447 0.91 RAF1 (0.37) RAF1BRAFTRPV1CPT2CPT1A

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 4 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
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 RAF1 2196/4885BRAF 2837/4885TRPV1 3814/4885

“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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