SCHEMBL20816769

SCHEMBL20816769

CC[C@H](C)[C@H](NC(=O)C(=O)C(C)NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)Cc1ccccc1)C(=O)NC(C)(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ HTRA1 Q92743 2/20 0.40
▸ CTSD P07339 6/20 0.40
▸ MME P08473 2/20 0.39
▸ ACE P12821 1/20 0.39
▸ CPA1 P15085 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PSMB5 P28074 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ REN P00797 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38

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
SCHEMBL20816688 1.00 CTSS (0.41) CTSSCTSLCTSBHTRA1CTSD
SCHEMBL20816682 0.95 CTSL (0.45) CTSSCTSLCTSBCTSDMME
SCHEMBL20816679 0.95 CTSL (0.45) CTSSCTSLCTSBCTSDMME
SCHEMBL20816895 0.93 MME (0.45) CTSSCTSLCTSBCTSDMME
SCHEMBL20816712 0.93 MME (0.45) CTSSCTSLCTSBCTSDMME
SCHEMBL20816897 0.93 MME (0.45) CTSSCTSLCTSBCTSDMME
SCHEMBL20816756 0.93 MME (0.45) CTSSCTSLCTSBCTSDMME
SCHEMBL20816907 0.92 CTSL (0.41) CTSSCTSLCTSBCTSDMME
SCHEMBL20827936 0.92 PTPN1 (0.43) CTSSCTSLCTSBCTSDMME
SCHEMBL20816582 0.92 CTSL (0.41) CTSSCTSLCTSBCTSDMME

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-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 CTSS 1/4885CTSL 3/4885CTSB 2/4885

“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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