SCHEMBL20741007

SCHEMBL20741007

CC(=O)C(=O)NNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 13/20 0.76
▸ CAPN1 P07384 2/20 0.66
▸ CTSL P07711 5/20 0.65
▸ CTSS P25774 4/20 0.65
▸ CTSB P07858 3/20 0.65

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
SCHEMBL20759712 1.00 CTSK (0.76) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL22415806 0.88 CTSK (0.75) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL12242779 0.88 CTSK (0.75) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL14415432 0.88 CTSK (0.75) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL20760624 0.87 CTSK (0.77) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL25242881 0.87 CTSK (0.85) CTSKCTSLCTSSCTSB
SCHEMBL21067894 0.87 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL25284323 0.87 CTSK (0.85) CTSKCTSLCTSSCTSB
SCHEMBL8823918 0.87 CTSK (0.77) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL25406813 0.87 CTSK (0.77) CTSKCAPN1CTSLCTSSCTSB

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-20190055283-A1 AZA-PEPTIDE ALDEHYDES AND KETONES OHIO STATE INNOVATION FOUNDATION 2019-02-21 — — 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-20190055283-A1 AZA-PEPTIDE ALDEHYDES AND KETONES VIP, DNPEP, PEPD CTSK 97/4885CAPN1 522/4885CTSL 82/4885

“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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