SCHEMBL21702050

SCHEMBL21702050

O=C(NC1CCCCC1)C(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.44
OPRM1 P35372 1/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSK P43235 6/20 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
SCHEMBL21702046 0.96 REN (0.45) RENOPRM1CTSLCTSBCTSK
SCHEMBL23506531 0.96 REN (0.45) RENOPRM1CTSLCTSBCTSK
SCHEMBL21702272 0.91 KLKB1 (0.43) RENOPRM1CTSLCTSB
SCHEMBL23506252 0.91 CTSK (0.51) CTSLCTSBCTSK
SCHEMBL21702049 0.90 REN (0.45) RENOPRM1CTSLCTSBCTSK
SCHEMBL21702048 0.89 KLKB1 (0.44) RENCTSLCTSB
SCHEMBL23711564 0.89 KLKB1 (0.44) RENCTSLCTSB
SCHEMBL23506296 0.87 CTSL (0.55) CTSLCTSBCTSK
SCHEMBL23506412 0.87 CTSL (0.45) RENCTSLCTSB
SCHEMBL23506337 0.87 OPRM1 (0.47) RENOPRM1CTSLCTSBCTSK

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 REN 28/4885OPRM1 1004/4885CTSL 1/4885

“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.