SCHEMBL20816682

SCHEMBL20816682

CCC(C)C(NC(=O)C(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)Cc1ccccc1)C(=O)NC(C)(C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ CTSD P07339 9/20 0.43
▸ MME P08473 4/20 0.43
▸ ACE P12821 4/20 0.43
▸ CPA1 P15085 4/20 0.43
▸ ACE2 Q9BYF1 4/20 0.43
▸ PSMB5 P28074 2/20 0.42
▸ REN P00797 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ ELANE P08246 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
SCHEMBL20816679 1.00 CTSL (0.45) CTSLCTSBCTSSCTSDMME
SCHEMBL20816897 0.96 MME (0.45) CTSLCTSBCTSSCTSDMME
SCHEMBL20816895 0.96 MME (0.45) CTSLCTSBCTSSCTSDMME
SCHEMBL20816712 0.96 MME (0.45) CTSLCTSBCTSSCTSDMME
SCHEMBL20816756 0.96 MME (0.45) CTSLCTSBCTSSCTSDMME
SCHEMBL20816930 0.95 PTPN1 (0.43) CTSLCTSBCTSSCTSDMME
SCHEMBL20816907 0.95 CTSL (0.41) CTSLCTSBCTSSCTSDMME
SCHEMBL20816582 0.95 CTSL (0.41) CTSLCTSBCTSSCTSDMME
SCHEMBL20816688 0.95 CTSS (0.41) CTSLCTSBCTSSCTSDMME
SCHEMBL20827936 0.95 PTPN1 (0.43) CTSLCTSBCTSSCTSDMME

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-20190085024-A1 Alpha-Ketoamide Inhibitors Of Cysteine Proteases Phelix Therapeutics (US) 2019-03-21 — — US claimed
US-20190085024-A1 Alpha-Ketoamide Inhibitors Of Cysteine Proteases Phelix Therapeutics (US) 2019-03-21 — — US disclosed
US-20190085024-A1 Alpha-Ketoamide Inhibitors Of Cysteine Proteases Phelix Therapeutics (US) 2019-03-21 — — 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-20190085024-A1 Alpha-Ketoamide Inhibitors Of Cysteine Proteases CTSS, CTSB, CTSL CTSL 3/4885CTSB 2/4885CTSS 1/4885

“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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