SCHEMBL20816781

SCHEMBL20816781

CCCC(NC(=O)C(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)Cc1ccccc1)C(=O)NC(C)(C)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.44
▸ CTSB P07858 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ REN P00797 5/20 0.42
▸ HDAC3 O15379 2/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ PSMB5 P28074 4/20 0.40
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ CHRNA1 P02708 1/20 0.39
▸ CHRNG P07510 1/20 0.39
▸ CHRNB1 P11230 1/20 0.39
▸ CHRND Q07001 1/20 0.39
▸ OPRM1 P35372 2/20 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
SCHEMBL20816784 1.00 CTSL (0.44) CTSLCTSBCTSSPOLBPTPN1
SCHEMBL20816779 1.00 CTSL (0.44) CTSLCTSBCTSSPOLBPTPN1
SCHEMBL20816713 0.95 CNR2 (0.44) CTSLCTSBCTSSPOLBPTPN1
SCHEMBL20816926 0.95 CNR2 (0.44) CTSLCTSBCTSSPOLBPTPN1
SCHEMBL20816928 0.95 CNR2 (0.44) CTSLCTSBCTSSPOLBPTPN1
SCHEMBL20816635 0.94 CTSL (0.49) CTSLCTSBCTSSPTPN1REN
SCHEMBL20816948 0.94 CTSL (0.49) CTSLCTSBCTSSPTPN1REN
SCHEMBL20816562 0.91 PTPN1 (0.47) CTSLCTSBCTSSPTPN1MMP9
SCHEMBL20816851 0.91 PTPN1 (0.47) CTSLCTSBCTSSPTPN1MMP9
SCHEMBL20816809 0.90 REN (0.49) CTSLCTSBCTSSPTPN1REN

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 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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