SCHEMBL20816599

SCHEMBL20816599

CCC(C)C(NC(=O)C(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)Cc1cccc2ccccc12)C(=O)NC(C)(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.44
▸ ACE P12821 1/20 0.44
▸ CPA1 P15085 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.44
▸ LCK P06239 5/20 0.42
▸ PSMB5 P28074 5/20 0.42
▸ CTSB P07858 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ PSMB8 P28062 4/20 0.40
▸ CTSS P25774 1/20 0.40
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ PSMB1 P20618 1/20 0.39
▸ PSMB9 P28065 1/20 0.39
▸ PSMB10 P40306 1/20 0.39
▸ PSMB2 P49721 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ CTSD P07339 2/20 0.38
▸ GRB2 P62993 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
SCHEMBL20816747 1.00 MME (0.44) MMEACECPA1ACE2LCK
SCHEMBL20816682 0.89 CTSL (0.45) MMEACECPA1ACE2PSMB5
SCHEMBL20816679 0.89 CTSL (0.45) MMEACECPA1ACE2PSMB5
SCHEMBL20816616 0.88 ELANE (0.50) MMEACECPA1ACE2LCK
SCHEMBL20816798 0.88 ELANE (0.50) MMEACECPA1ACE2LCK
SCHEMBL20816897 0.86 MME (0.45) MMEACECPA1ACE2PSMB5
SCHEMBL20816895 0.86 MME (0.45) MMEACECPA1ACE2PSMB5
SCHEMBL20816637 0.86 MMP9 (0.48) MMEACECPA1ACE2LCK
SCHEMBL20816756 0.86 MME (0.45) MMEACECPA1ACE2PSMB5
SCHEMBL20816774 0.86 MMP9 (0.48) MMEACECPA1ACE2LCK

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 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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