SCHEMBL17624583

SCHEMBL17624583

CC(C)(C)OC(=O)NCCCc1cc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CCC[C@H]2C3)cc(-c2cnco2)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.37
▸ CCR3 P51677 1/20 0.36
▸ P2RY14 Q15391 1/20 0.34
▸ RORC P51449 11/20 0.32
▸ SYK P43405 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ IRAK1 P51617 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
SCHEMBL19365867 1.00 RHOA (0.37) RHOACCR3P2RY14RORCSYK
SCHEMBL17624672 0.97 RHOA (0.35) RHOACCR3P2RY14RORCGSK3B
SCHEMBL17618871 0.90 RHOA (0.35) RHOACCR3RORC
SCHEMBL17618882 0.89 RHOA (0.42) RHOACCR3GSK3BDYRK1A
SCHEMBL17624671 0.89 RHOA (0.38) RHOACCR3RORCSYKGSK3B
SCHEMBL17618872 0.86 RAF1 (0.35) RHOARORC
SCHEMBL16785596 0.86 RHOA (0.37) RHOACCR3RORCGSK3BDYRK1A
SCHEMBL19670555 0.86 RHOA (0.35) RHOACCR3RORCGPR119IRAK1
SCHEMBL17618883 0.86 RHOA (0.40) RHOACCR3GSK3BDYRK1A
SCHEMBL17618873 0.84 RHOA (0.36) RHOARORCIRAK1

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — 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-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 (2 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 4858/4885CCR3 4873/4885P2RY14 2006/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RHOA 4798/4885CCR3 4863/4885P2RY14 1513/4885

“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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