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Sugi Predict / Compounds / SCHEMBL4467228

SCHEMBL4467228

SCHEMBL4467228

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

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 11/20 0.55
▸ CASP1 P29466 1/20 0.55
▸ CASP7 P55210 1/20 0.55
▸ CASP9 P55211 1/20 0.55
▸ CASP6 P55212 1/20 0.55
▸ CASP8 Q14790 1/20 0.55
▸ CTSB P07858 2/20 0.51
▸ CTSK P43235 2/20 0.51
▸ CTSL P07711 2/20 0.51
▸ CTSS P25774 2/20 0.51
▸ CTSD P07339 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA5A P35218 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
SCHEMBL4466585 0.90 CASP3 (0.54) CASP3CASP1CASP7CASP9CASP6
SCHEMBL13914077 0.90 CASP3 (0.54) CASP3CASP1CASP7CASP9CASP6
SCHEMBL29384302 0.89 CASP3 (0.60) CASP3CASP1CASP7CASP9CASP6
SCHEMBL26071633 0.89 CASP3 (0.60) CASP3CASP1CASP7CASP9CASP6
SCHEMBL4466395 0.89 CASP3 (0.60) CASP3CASP1CASP7CASP9CASP6
SCHEMBL29043505 0.88 CASP3 (0.57) CASP3CASP1CASP7CASP9CASP6
SCHEMBL30376490 0.88 CASP3 (0.57) CASP3CASP1CASP7CASP9CASP6
SCHEMBL23269036 0.86 CASP3 (0.60) CASP3CASP1CASP7CASP9CASP6
SCHEMBL10084325 0.86 CASP3 (0.60) CASP3CASP1CASP7CASP9CASP6
SCHEMBL23268995 0.86 CASP3 (0.60) CASP3CASP1CASP7CASP9CASP6

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 200/4885CASP1 157/4885CASP7 425/4885

“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.