SCHEMBL25286949

SCHEMBL25286949

COc1cccc2[nH]c(C(=O)NC(CC3CC3(C)C)C(=O)NC(C[C@@H]3CCCNC3=O)C(N)=O)cc12

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 7/20 0.64
▸ CTSS P25774 6/20 0.64
▸ CTSL P07711 4/20 0.64

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
SCHEMBL24113211 1.00 CTSB (0.64) CTSBCTSSCTSL
SCHEMBL25286950 1.00 CTSB (0.64) CTSBCTSSCTSL
SCHEMBL30310363 1.00 CTSB (0.64) CTSBCTSSCTSL
SCHEMBL29062977 0.94 CTSB (0.63) CTSBCTSSCTSL
SCHEMBL30008706 0.94 CTSB (0.63) CTSBCTSSCTSL
SCHEMBL24020863 0.94 CTSB (0.63) CTSBCTSSCTSL
SCHEMBL23824477 0.91 CTSB (0.67) CTSBCTSSCTSL
SCHEMBL23824367 0.91 CTSB (0.67) CTSBCTSSCTSL
SCHEMBL23824364 0.91 CTSB (0.67) CTSBCTSSCTSL
SCHEMBL30008298 0.91 CTSB (0.67) CTSBCTSSCTSL

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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 — — 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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV CTSB 27/4885CTSS 7/4885CTSL 2/4885

“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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