SCHEMBL21702032

SCHEMBL21702032

CC(C)(C)CNC(=O)C(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 5/20 0.49
▸ CTSL P07711 3/20 0.49
▸ CTSK P43235 2/20 0.49
▸ REN P00797 1/20 0.44
▸ CTSB P07858 1/20 0.40

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
SCHEMBL21702031 0.96 CTSL (0.49) CTSSCTSLCTSKRENCTSB
SCHEMBL21702026 0.92 CTSK (0.49) CTSSCTSLCTSKRENCTSB
SCHEMBL23506399 0.92 CTSK (0.49) CTSSCTSLCTSKRENCTSB
SCHEMBL21702035 0.90 CTSL (0.48) CTSSCTSLCTSKRENCTSB
SCHEMBL26494831 0.90 CTSL (0.48) CTSSCTSLCTSKRENCTSB
SCHEMBL23711569 0.88 CTSL (0.49) CTSSCTSLCTSKRENCTSB
SCHEMBL23711785 0.88 CTSL (0.49) CTSSCTSLCTSKRENCTSB
SCHEMBL23506291 0.88 CTSL (0.49) CTSSCTSLCTSKRENCTSB
SCHEMBL21702028 0.88 CTSL (0.49) CTSSCTSLCTSKRENCTSB
SCHEMBL21702027 0.88 CTSL (0.49) CTSSCTSLCTSKRENCTSB

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 5 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
US-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-05-04 — — US disclosed
WO-2021151387-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND 中国科学院上海药物研究所 2021-08-05 — — WO 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
WO-2020030143-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 中国科学院上海药物研究所 2020-02-13 — — WO 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 CTSS 3/4885CTSL 1/4885CTSK 13/4885

“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.

Send feedback