SCHEMBL4485017

SCHEMBL4485017

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

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.59
CTSL P07711 4/20 0.56
CTSS P25774 3/20 0.56
CTSB P07858 1/20 0.56
CAPN1 P07384 3/20 0.55
CAPN2 P17655 1/20 0.55

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
SCHEMBL13914028 0.89 CTSK (0.63) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL21485271 0.89 CTSK (0.70) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL4466886 0.87 CTSK (0.58) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL4480571 0.87 CASP3 (0.55) CTSKCTSLCTSSCTSB
SCHEMBL9600765 0.86 CTSK (0.63) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL13925094 0.85 CTSK (0.60) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL4457522 0.85 CTSK (0.57) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL4470141 0.85 CTSB (0.56) CTSKCTSLCTSSCTSB
SCHEMBL23133192 0.84 CTSK (0.56) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL20257141 0.84 CTSK (0.56) CTSKCTSLCTSSCTSBCAPN1

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 8 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 claimed
US-20080300191-A1 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF CYTOVIA, INC. 2008-12-04 US claimed
EP-1628674-A2 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF Cytovia, Inc. (US) 2006-03-01 EP claimed
WO-2004101742-A2 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF CYTOVIA, INC (US) 2004-11-25 WO claimed
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 72/4885CTSL 27/4885CTSS 33/4885

“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.