SCHEMBL20816948

SCHEMBL20816948

CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.49
▸ CTSB P07858 1/20 0.49
▸ CTSS P25774 1/20 0.49
▸ PTPN1 P18031 3/20 0.48
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP14 P50281 1/20 0.43
▸ CHRNA1 P02708 2/20 0.42
▸ CHRNG P07510 2/20 0.42
▸ CHRNB1 P11230 2/20 0.42
▸ CHRND Q07001 2/20 0.42
▸ REN P00797 1/20 0.42
▸ OPRD1 P41143 5/20 0.41
▸ OPRM1 P35372 4/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PSMB5 P28074 2/20 0.41
▸ PTPN2 P17706 2/20 0.41

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
SCHEMBL20816635 1.00 CTSL (0.49) CTSLCTSBCTSSPTPN1MMP9
SCHEMBL20816851 0.96 PTPN1 (0.47) CTSLCTSBCTSSPTPN1MMP9
SCHEMBL20816562 0.96 PTPN1 (0.47) CTSLCTSBCTSSPTPN1MMP9
SCHEMBL20816809 0.95 REN (0.49) CTSLCTSBCTSSPTPN1REN
SCHEMBL20816753 0.95 REN (0.49) CTSLCTSBCTSSPTPN1REN
SCHEMBL20816805 0.95 REN (0.49) CTSLCTSBCTSSPTPN1REN
SCHEMBL20816779 0.94 CTSL (0.44) CTSLCTSBCTSSPTPN1MMP9
SCHEMBL20816784 0.94 CTSL (0.44) CTSLCTSBCTSSPTPN1MMP9
SCHEMBL20816781 0.94 CTSL (0.44) CTSLCTSBCTSSPTPN1MMP9
SCHEMBL20816725 0.94 PTPN1 (0.48) CTSLCTSBCTSSPTPN1MMP9

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 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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