SCHEMBL20816616

SCHEMBL20816616

CCC(C)C(NC(=O)C(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)Cc1ccc2ccccc2c1)C(=O)NC(C)(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.50
▸ CTSD P07339 5/20 0.49
▸ MME P08473 2/20 0.46
▸ ACE P12821 2/20 0.46
▸ CPA1 P15085 2/20 0.46
▸ ACE2 Q9BYF1 2/20 0.46
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ CTSB P07858 3/20 0.41
▸ CTSS P25774 3/20 0.41
▸ CTSK P43235 1/20 0.41
▸ PSMB1 P20618 1/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ PSMB2 P49721 1/20 0.41
▸ OPRD1 P41143 1/20 0.40
▸ LCK P06239 2/20 0.40
▸ CTSL P07711 2/20 0.39
▸ FCER2 P06734 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
SCHEMBL20816798 1.00 ELANE (0.50) ELANECTSDMMEACECPA1
SCHEMBL20816682 0.93 CTSL (0.45) ELANECTSDMMEACECPA1
SCHEMBL20816679 0.93 CTSL (0.45) ELANECTSDMMEACECPA1
SCHEMBL20816756 0.92 MME (0.45) ELANECTSDMMEACECPA1
SCHEMBL20816895 0.92 MME (0.45) ELANECTSDMMEACECPA1
SCHEMBL20816712 0.92 MME (0.45) ELANECTSDMMEACECPA1
SCHEMBL20816897 0.92 MME (0.45) ELANECTSDMMEACECPA1
SCHEMBL20816930 0.90 PTPN1 (0.43) ELANECTSDMMEACECPA1
SCHEMBL20816688 0.90 CTSS (0.41) ELANECTSDMMEACECPA1
SCHEMBL20827936 0.90 PTPN1 (0.43) ELANECTSDMMEACECPA1

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 ELANE 996/4885CTSD 13/4885MME 346/4885

“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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