SCHEMBL23711577

SCHEMBL23711577

CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC(C[C@@H]1CCCNC1=O)C(=O)C(=O)NC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.50
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47

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
SCHEMBL23506315 1.00 CTSK (0.50) CTSKTAS1R3TAS1R1CTSLCTSB
SCHEMBL23506250 0.95 CTSK (0.51) CTSKTAS1R3TAS1R1CTSLCTSB
SCHEMBL21702274 0.90 KLKB1 (0.46) CTSB
SCHEMBL21702049 0.90 REN (0.45) CTSKCTSLCTSB
SCHEMBL23712054 0.90 KLKB1 (0.46) CTSB
SCHEMBL23506252 0.90 CTSK (0.51) CTSKTAS1R3TAS1R1CTSLCTSB
SCHEMBL23506367 0.89 CTSK (0.48) CTSKTAS1R3TAS1R1
SCHEMBL23506236 0.87 REN (0.46) CTSLCTSB
SCHEMBL21702056 0.87 REN (0.46) CTSLCTSB
SCHEMBL23506231 0.86 OPRM1 (0.43) CTSKTAS1R3TAS1R1

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
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

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.