SCHEMBL4463849

SCHEMBL4463849

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NC(CCC(=O)N(C)C)C(O)CF

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.52
CTSB P07858 4/20 0.52
BACE1 P56817 3/20 0.51
REN P00797 2/20 0.49
PSMB1 P20618 1/20 0.48
CTSD P07339 1/20 0.47
CTSS P25774 1/20 0.46

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
SCHEMBL4472685 0.93 CTSK (0.56) CTSKCTSBPSMB1CTSS
SCHEMBL4467248 0.87 CTSK (0.54) CTSKCTSBCTSS
SCHEMBL4461122 0.82 PSMB1 (0.64) CTSKCTSBBACE1PSMB1CTSS
SCHEMBL4457522 0.82 CTSK (0.57) CTSKCTSBRENPSMB1CTSS
SCHEMBL4491942 0.81 CTSD (0.52) CTSKCTSBRENCTSDCTSS
SCHEMBL4466585 0.81 CASP3 (0.54) CTSKCTSBCTSDCTSS
SCHEMBL13914077 0.81 CASP3 (0.54) CTSKCTSBCTSDCTSS
SCHEMBL13914051 0.81 CTSK (0.56) CTSKCTSBPSMB1CTSS
SCHEMBL4466886 0.81 CTSK (0.58) CTSKCTSBCTSS
SCHEMBL13925096 0.79 CTSK (0.58) CTSKCTSBPSMB1CTSS

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504382-B2 Protease inhibitors for coronaviruses and SARS-CoV and the use thereof CYTOVIA, INC. (US) 2009-03-17 US disclosed
US-20080300191-A1 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF CYTOVIA, INC. 2008-12-04 US disclosed
EP-1628674-A2 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF Cytovia, Inc. (US) 2006-03-01 EP disclosed
WO-2004101742-A2 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF CYTOVIA, INC (US) 2004-11-25 WO 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-20080300191-A1 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF ACE, ACE2, TMPRSS2 CTSK 72/4885CTSB 32/4885BACE1 107/4885

“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.