SCHEMBL13810396

SCHEMBL13810396

COC(=O)[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 13/20 0.61
NMBR P28336 1/20 0.47
KLK5 Q9Y337 1/20 0.46
CTSS P25774 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
KLK7 P49862 1/20 0.40

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
SCHEMBL11913040 1.00 SIRT2 (0.61) SIRT2NMBRKLK5CTSSCTSL
SCHEMBL18221655 0.93 SIRT2 (0.56) SIRT2NMBRKLK5
SCHEMBL29401183 0.92 SIRT2 (0.53) SIRT2NMBR
SCHEMBL9959535 0.92 SIRT2 (0.53) SIRT2NMBR
SCHEMBL5349888 0.92 SIRT2 (0.53) SIRT2NMBR
SCHEMBL5361692 0.90 SIRT2 (0.53) SIRT2NMBRKLK7
SCHEMBL29606071 0.88 SIRT2 (0.50) SIRT2NMBRCTSSCTSLCTSB
SCHEMBL5353860 0.88 SIRT2 (0.50) SIRT2NMBRCTSSCTSLCTSB
SCHEMBL5353862 0.88 SIRT2 (0.54) SIRT2NMBRCTSSCTSLCTSB
SCHEMBL29918001 0.88 SIRT2 (0.50) SIRT2NMBRKLK5

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-20090149658-A1 Novel Histidine Derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2009-06-11 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-20090149658-A1 Novel Histidine Derivatives HRH4, HNMT, HRH3 SIRT2 1706/4885NMBR 396/4885KLK5 2008/4885

“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.