SCHEMBL30277064

SCHEMBL30277064

CC(C)C[C@H](NC(=O)C(=O)Nc1ccccc1F)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COc1ccnc(C(F)(F)F)n1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.51
▸ CASP6 P55212 1/20 0.51
▸ CASP8 Q14790 1/20 0.51
▸ CTSB P07858 3/20 0.43
▸ CTSL P07711 2/20 0.43
▸ CTSS P25774 1/20 0.41

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
SCHEMBL24710113 1.00 CASP3 (0.51) CASP3CASP6CASP8CTSBCTSL
SCHEMBL29179671 0.87 CTSB (0.45) CASP3CASP6CASP8CTSBCTSL
SCHEMBL29179673 0.87 CTSB (0.45) CASP3CASP6CASP8CTSBCTSL
SCHEMBL25855396 0.87 CTSB (0.43) CTSBCTSLCTSS
SCHEMBL30276973 0.86 CTSL (0.48) CTSBCTSLCTSS
SCHEMBL24710026 0.86 CTSL (0.48) CTSBCTSLCTSS
SCHEMBL24710328 0.85 CTSL (0.51) CTSBCTSL
SCHEMBL30133373 0.85 CTSL (0.51) CTSBCTSL
SCHEMBL24939100 0.84 CTSL (0.49) CASP3CASP6CASP8CTSBCTSL
SCHEMBL30277010 0.84 CTSL (0.49) CASP3CASP6CASP8CTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4352040-A1 PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS The Scripps Research Institute (US) 2024-04-17 — — EP claimed
WO-2022261473-A1 PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-15 — — WO claimed
EP-4352040-A1 PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS The Scripps Research Institute (US) 2024-04-17 — — EP disclosed
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 — — US disclosed
WO-2022261473-A1 PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-15 — — 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-11708348-B2 Protease inhibitors for treatment of coronavirus infections ACE, ACE2, TMPRSS2 CASP3 239/4885CASP6 378/4885CASP8 903/4885

“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.

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