SCHEMBL19736261

SCHEMBL19736261

CC(C)C(=O)NCC(N)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.33
DNPEP Q9ULA0 1/20 0.33
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
MLYCD O95822 2/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
ERCC1 P07992 1/20 0.32
ERCC4 Q92889 1/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL12442980 0.79 KDM4E (0.34) ALDH1A1
SCHEMBL23866608 0.78 PKM (0.42) CYP2D6CYP2C19MLYCDCYP2C9KMT2A
SCHEMBL17768026 0.77 CYP2D6 (0.44) CYP2D6CYP2C19
SCHEMBL11652880 0.76 ANPEP (0.37) ANPEPDNPEPCYP2D6CYP2C19CYP2C9
SCHEMBL20102958 0.74 ANPEP (0.40) ANPEPDNPEPCYP2D6CYP2C19CYP2C9
Oxalic Acid SCHEMBL14842505 0.73 CYP2D6 (0.41) CYP2D6CYP2C19
SCHEMBL24333748 0.73 CYP2D6 (0.33) CYP2D6CYP2C19MLYCDCYP2C9KMT2A
SCHEMBL27678507 0.72 ALDH1A1 (0.39) ANPEPDNPEPCYP2D6CYP2C19CYP2C9
SCHEMBL24333747 0.72 ERCC1 (0.33) ERCC1ERCC4
SCHEMBL19699643 0.72 MEN1 (0.44) KMT2A

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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ANPEP 4096/4885DNPEP 3039/4885CYP2D6 3327/4885

“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.