SCHEMBL19604392

SCHEMBL19604392

CNC(C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)C(C)(C)C)cc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 10/20 0.40
SIRT1 Q96EB6 9/20 0.40
SIRT3 Q9NTG7 3/20 0.40
SIRT5 Q9NXA8 3/20 0.40
HTT P42858 1/20 0.40
FURIN P09958 2/20 0.40
ROCK2 O75116 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL24263882 1.00 SIRT2 (0.40) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL21534077 1.00 SIRT2 (0.40) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL20830093 0.92 SIRT2 (0.40) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL20798865 0.92 SIRT2 (0.40) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL22598026 0.92 SIRT2 (0.40) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL24299974 0.92 SIRT2 (0.40) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL24115319 0.92 SIRT2 (0.40) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL24450761 0.92 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL20798918 0.92 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL15786145 0.92 SIRT2 (0.40) SIRT2SIRT1SIRT3SIRT5HTT

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-20170326250-A1 CELL PROLIFERATION INHIBITORS AND CONJUGATES THEREOF NOVARTIS AG (CH) 2017-11-16 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-20170326250-A1 CELL PROLIFERATION INHIBITORS AND CONJUGATES THEREOF MKI67, CCNI, PA2G4 SIRT2 3442/4885SIRT1 3593/4885SIRT3 4065/4885

“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.