SCHEMBL17618873

SCHEMBL17618873

CC(C)(C)OC(=O)NCC#Cc1ccc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CCC[C@H]2C3)cc1-c1cnco1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.36
▸ RAF1 P04049 11/20 0.34
▸ BRAF P15056 11/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ RORC P51449 3/20 0.34
▸ IRAK1 P51617 1/20 0.33
▸ TRPV1 Q8NER1 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
SCHEMBL17618874 0.97 RAF1 (0.35) RHOARAF1BRAFRORC
SCHEMBL17618879 0.91 RHOA (0.38) RHOARAF1BRAFAAK1TRPV1
SCHEMBL17624671 0.89 RHOA (0.38) RHOARORCIRAK1
SCHEMBL17618871 0.89 RHOA (0.35) RHOARAF1BRAFRORC
SCHEMBL17618880 0.87 RHOA (0.36) RHOARAF1BRAF
SCHEMBL16785596 0.86 RHOA (0.37) RHOARAF1BRAFRORC
SCHEMBL17618872 0.86 RAF1 (0.35) RHOARAF1BRAFRORC
SCHEMBL19365867 0.84 RHOA (0.37) RHOARORCIRAK1
SCHEMBL17624583 0.84 RHOA (0.37) RHOARORCIRAK1
SCHEMBL19706159 0.83 RHOA (0.36) RHOARAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RHOA 4858/4885RAF1 2459/4885BRAF 2804/4885

“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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