SCHEMBL20816756

SCHEMBL20816756

CC[C@H](C)[C@H](NC(=O)C(=O)C(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)NC(C)(C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.45
▸ ACE P12821 4/20 0.45
▸ CPA1 P15085 4/20 0.45
▸ ACE2 Q9BYF1 4/20 0.45
▸ CTSS P25774 2/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSD P07339 6/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SHMT1 P34896 1/20 0.41
▸ SHMT2 P34897 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ PSMB5 P28074 2/20 0.40
▸ ELANE P08246 1/20 0.40
▸ REN P00797 1/20 0.39

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
SCHEMBL20816897 1.00 MME (0.45) MMEACECPA1ACE2CTSS
SCHEMBL20816712 1.00 MME (0.45) MMEACECPA1ACE2CTSS
SCHEMBL20816895 1.00 MME (0.45) MMEACECPA1ACE2CTSS
SCHEMBL20816679 0.96 CTSL (0.45) MMEACECPA1ACE2CTSS
SCHEMBL20816682 0.96 CTSL (0.45) MMEACECPA1ACE2CTSS
SCHEMBL20827936 0.93 PTPN1 (0.43) MMEACECPA1ACE2CTSS
SCHEMBL20816769 0.93 CTSS (0.41) MMEACECPA1ACE2CTSS
SCHEMBL20816582 0.93 CTSL (0.41) MMEACECPA1ACE2CTSS
SCHEMBL20816907 0.93 CTSL (0.41) MMEACECPA1ACE2CTSS
SCHEMBL20816930 0.93 PTPN1 (0.43) MMEACECPA1ACE2CTSS

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 2 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 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 MME 346/4885ACE 115/4885CPA1 16/4885

“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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