SCHEMBL25854895

SCHEMBL25854895

CC(C)C[C@H](C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COc1c(F)c(F)cc(F)c1F

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.46
▸ CTSB P07858 2/20 0.46
▸ CASP3 P42574 3/20 0.43
▸ CASP6 P55212 2/20 0.43
▸ CASP8 Q14790 2/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ CTSV O60911 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42

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
SCHEMBL24710098 0.91 CTSL (0.45) CTSLCTSBCASP3CASP6CASP8
SCHEMBL25300184 0.90 CTSL (0.50) CTSLCTSB
Hydrochloric Acid SCHEMBL29179548 0.90 CTSL (0.45) CTSLCTSBCASP3CASP6CASP8
SCHEMBL25300183 0.90 CTSL (0.50) CTSLCTSB
SCHEMBL25300185 0.90 CTSL (0.50) CTSLCTSB
Hydrochloric Acid SCHEMBL29179547 0.90 CTSL (0.45) CTSLCTSBCASP3CASP6CASP8
SCHEMBL29179521 0.88 CTSL (0.43) CTSLCTSBCASP3CASP6CASP8
SCHEMBL29179654 0.88 CTSL (0.50) CTSLCTSBCTSS
SCHEMBL29179516 0.88 CTSL (0.43) CTSLCTSBCASP3CASP6CASP8
SCHEMBL29179519 0.88 CTSL (0.43) CTSLCTSBCASP3CASP6CASP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 — — US 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 CTSL 19/4885CTSB 15/4885CASP3 239/4885

“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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