SCHEMBL24020857

SCHEMBL24020857

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

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.56
▸ CTSB P07858 4/20 0.56
▸ CTSS P25774 3/20 0.56
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ RCE1 Q9Y256 1/20 0.49

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
SCHEMBL23836592 0.87 CTSL (0.64) CTSLCTSBCTSS
SCHEMBL30008864 0.87 CTSL (0.64) CTSLCTSBCTSS
SCHEMBL25843489 0.87 CTSL (0.64) CTSLCTSBCTSS
SCHEMBL23836591 0.87 CTSL (0.64) CTSLCTSBCTSS
SCHEMBL23836236 0.87 CTSL (0.64) CTSLCTSBCTSS
SCHEMBL24021142 0.87 CTSL (0.64) CTSLCTSBCTSS
SCHEMBL24740368 0.87 CTSL (0.56) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL23836010 0.86 CTSL (0.54) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL24020078 0.86 CTSL (0.54) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL24029102 0.85 KMT2A (0.56) CTSLCTSBCTSSMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-12-13 — — US disclosed
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-11-16 — — 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 (2 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-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL CTSL 3/4885CTSB 32/4885CTSS 7/4885
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL CTSL 3/4885CTSB 32/4885CTSS 7/4885

“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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