SCHEMBL17624672

SCHEMBL17624672

CC(C)(C)OC(=O)NCCCc1cc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)cc(-c2cnco2)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.35
▸ CCR3 P51677 1/20 0.34
▸ P2RY14 Q15391 1/20 0.34
▸ RORC P51449 13/20 0.33
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ CKS1B P61024 1/20 0.32
▸ SKP1 P63208 1/20 0.32
▸ SKP2 Q13309 1/20 0.32
▸ FGFR3 P22607 1/20 0.32
▸ KDR P35968 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
SCHEMBL17624583 0.97 RHOA (0.37) RHOACCR3P2RY14RORCGSK3B
SCHEMBL19365867 0.97 RHOA (0.37) RHOACCR3P2RY14RORCGSK3B
SCHEMBL17618872 0.89 RAF1 (0.35) RHOARORC
SCHEMBL17618883 0.89 RHOA (0.40) RHOACCR3GSK3BDYRK1A
SCHEMBL16785596 0.88 RHOA (0.37) RHOACCR3RORCGSK3BDYRK1A
SCHEMBL17618871 0.86 RHOA (0.35) RHOACCR3RORC
SCHEMBL16238714 0.86 RHOA (0.43) RHOAGSK3BDYRK1A
SCHEMBL17618882 0.85 RHOA (0.42) RHOACCR3GSK3BDYRK1A
SCHEMBL17624671 0.85 RHOA (0.38) RHOACCR3RORCGSK3BDYRK1A
SCHEMBL19706159 0.84 RHOA (0.36) RHOACCR3GSK3BDYRK1AKDR

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-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 (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 4858/4885CCR3 4873/4885P2RY14 2006/4885

“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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