SCHEMBL23506335

SCHEMBL23506335

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)C(=O)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.49
▸ TAS1R3 Q7RTX0 2/20 0.47
▸ TAS1R1 Q7RTX1 2/20 0.47
▸ CTSL P07711 8/20 0.46
▸ CTSS P25774 5/20 0.46
▸ CTSB P07858 4/20 0.46
▸ CTSV O60911 2/20 0.46

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
SCHEMBL23506241 0.96 CTSK (0.50) CTSKTAS1R3TAS1R1CTSLCTSB
SCHEMBL21702267 0.92 CTSL (0.46) CTSKCTSLCTSSCTSB
SCHEMBL21702035 0.90 CTSL (0.48) CTSKCTSLCTSSCTSB
SCHEMBL26494831 0.90 CTSL (0.48) CTSKCTSLCTSSCTSB
SCHEMBL23506458 0.90 CTSK (0.50) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL23711638 0.90 CTSK (0.50) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL23506297 0.88 CTSK (0.51) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL26494879 0.88 CAPN1 (0.46) CTSKCTSLCTSSCTSB
SCHEMBL26494839 0.87 CTSL (0.42) CTSKCTSLCTSSCTSB
SCHEMBL26495102 0.87 CTSL (0.40) CTSKCTSLCTSSCTSB

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-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-05-04 — — US disclosed
EP-3835296-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-06-16 — — EP 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-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND CTSL, CTSV, CTSS CTSK 13/4885TAS1R3 2190/4885TAS1R1 2163/4885

“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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