SCHEMBL4458455

SCHEMBL4458455

CN(C)C(=O)CCC(NC(=O)CNC(=O)OCc1ccccc1)C(=O)CF

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 12/20 0.48
CYP3A4 P08684 2/20 0.47
TSHR P16473 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
FOLH1 Q04609 2/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL4473633 0.84 CTSK (0.49) CASP3CTSLCTSBCTSSCTSK
SCHEMBL4466585 0.82 CASP3 (0.54) CASP3CTSLCTSBCTSSCTSK
SCHEMBL13914077 0.82 CASP3 (0.54) CASP3CTSLCTSBCTSSCTSK
SCHEMBL4466886 0.81 CTSK (0.58) CTSLCTSBCTSSCTSK
SCHEMBL4460239 0.80 MEN1 (0.57) CASP3CYP3A4CTSLCTSBCTSS
SCHEMBL13914073 0.78 CTSK (0.48) CYP3A4TSHRCTSLCTSBCTSS
SCHEMBL13914075 0.78 FOLH1 (0.54) CTSLCTSBCTSSCTSKFOLH1
SCHEMBL8447913 0.78 FOLH1 (0.54) CTSLCTSBCTSSCTSKFOLH1
SCHEMBL4467248 0.78 CTSK (0.54) CASP3CTSLCTSBCTSSCTSK
SCHEMBL31377319 0.76 MAPT (0.49) CYP3A4TSHRFOLH1MAPK1

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 CASP3 200/4885CYP3A4 1645/4885TSHR 4275/4885

“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.