SCHEMBL21702126

SCHEMBL21702126

CC(C)(C)NC(=O)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2[nH]ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
ACHE P22303 1/20 0.40
HTR4 Q13639 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL23506520 1.00 CTSL (0.42) CTSLCTSBACHEHTR4SIGMAR1
SCHEMBL23711211 0.96 PADI4 (0.38)
SCHEMBL21702184 0.96 PADI4 (0.38)
SCHEMBL21702124 0.90 PADI4 (0.46) CTSL
SCHEMBL23506370 0.90 PADI4 (0.46) CTSL
SCHEMBL23506299 0.88 CTSL (0.44) CTSLCTSB
SCHEMBL21702170 0.88 CTSL (0.44) CTSLCTSB
SCHEMBL23506442 0.86 PADI4 (0.45) CTSL
SCHEMBL21702166 0.86 PADI4 (0.45) CTSL
SCHEMBL23711186 0.85 ALDH1A1 (0.41) CTSLCTSB

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 3 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
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
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 CTSL 1/4885CTSB 8/4885ACHE 847/4885

“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.