SCHEMBL25837527

SCHEMBL25837527

COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)NNC=O)cc12

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.62
▸ CTSB P07858 4/20 0.62
▸ CTSS P25774 3/20 0.62
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ RCE1 Q9Y256 1/20 0.57
▸ TAS1R3 Q7RTX0 1/20 0.50
▸ TAS1R1 Q7RTX1 1/20 0.50

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
SCHEMBL25244521 0.88 MEN1 (0.61) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL25288556 0.88 MEN1 (0.61) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL24691246 0.87 TAS1R3 (0.47) CTSLCTSBCTSSTAS1R3TAS1R1
SCHEMBL24029390 0.87 MEN1 (0.62) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL26230797 0.86 ALB (0.55) CTSLCTSBCTSS
SCHEMBL25286907 0.86 MEN1 (0.61) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL25286906 0.86 MEN1 (0.61) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL23824277 0.85 MEN1 (0.67) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL24208602 0.85 TAS1R3 (0.69) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL24113057 0.85 MEN1 (0.64) 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 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 CTSL 2/4885CTSB 27/4885CTSS 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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