SCHEMBL4467248

SCHEMBL4467248

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 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.54
CTSB P07858 6/20 0.54
CASP1 P29466 1/20 0.49
CASP3 P42574 1/20 0.49
CASP7 P55210 1/20 0.49
CASP9 P55211 1/20 0.49
CASP6 P55212 1/20 0.49
CASP8 Q14790 1/20 0.49
CTSS P25774 2/20 0.48
CTSL P07711 2/20 0.48
CAPN1 P07384 1/20 0.48

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
SCHEMBL4466585 0.95 CASP3 (0.54) CTSKCTSBCASP1CASP3CASP7
SCHEMBL13914077 0.95 CASP3 (0.54) CTSKCTSBCASP1CASP3CASP7
SCHEMBL4466886 0.94 CTSK (0.58) CTSKCTSBCTSSCTSLCAPN1
SCHEMBL4463849 0.87 CTSK (0.52) CTSKCTSBCTSS
SCHEMBL4460239 0.86 MEN1 (0.57) CTSKCTSBCASP1CASP3CASP7
SCHEMBL4467228 0.85 CASP3 (0.55) CTSKCTSBCASP1CASP3CASP7
SCHEMBL4473633 0.85 CTSK (0.49) CTSKCTSBCASP1CASP3CASP7
SCHEMBL29818103 0.83 CASP3 (0.64) CTSKCTSBCASP1CASP3CASP7
SCHEMBL14307936 0.83 CTSK (0.57) CTSKCTSBCASP1CASP3CASP7
SCHEMBL13914028 0.82 CTSK (0.63) CTSKCTSBCTSSCTSLCAPN1

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 72/4885CTSB 32/4885CASP1 157/4885

“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.