SCHEMBL21702272

SCHEMBL21702272

O=C(NC1CCCCC1)C(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.43
TACR2 P21452 12/20 0.43
REN P00797 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CTSB P07858 2/20 0.41
CTSL P07711 1/20 0.41
CAPN1 P07384 1/20 0.41
OPRM1 P35372 1/20 0.40
PIN1 Q13526 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
SCHEMBL23506412 0.96 CTSL (0.45) KLKB1TACR2RENALDH1A1CTSB
SCHEMBL21702050 0.91 REN (0.44) RENCTSBCTSLOPRM1
SCHEMBL23506252 0.90 CTSK (0.51) CTSBCTSL
SCHEMBL21702278 0.90 KLKB1 (0.51) KLKB1TACR2CTSBCTSLCAPN1
SCHEMBL23506293 0.90 KLKB1 (0.51) KLKB1TACR2CTSBCTSLCAPN1
SCHEMBL23712054 0.89 KLKB1 (0.46) KLKB1TACR2RENCTSBCAPN1
SCHEMBL21702274 0.89 KLKB1 (0.46) KLKB1TACR2RENCTSBCAPN1
SCHEMBL21702046 0.87 REN (0.45) RENCTSBCTSLOPRM1
SCHEMBL23506531 0.87 REN (0.45) RENCTSBCTSLOPRM1
SCHEMBL23506296 0.86 CTSL (0.55) CTSBCTSL

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 4 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
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 KLKB1 129/4885TACR2 500/4885REN 28/4885

“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.