SCHEMBL23711667

SCHEMBL23711667

O=C(NC1CCCCC1)C(=O)C(C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.47
▸ CTSB P07858 3/20 0.47
▸ CTSS P25774 3/20 0.47
▸ CTSK P43235 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ REN P00797 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ CAPN1 P07384 1/20 0.39

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
SCHEMBL21702275 1.00 CTSL (0.47) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL23506406 0.96 CTSL (0.47) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL23711569 0.92 CTSL (0.49) CTSLCTSBCTSSCTSKRAB9A
SCHEMBL21702027 0.92 CTSL (0.49) CTSLCTSBCTSSCTSKRAB9A
SCHEMBL23711792 0.91 CTSL (0.43) CTSLCTSBCTSSCTSKRAB9A
SCHEMBL23506297 0.91 CTSK (0.51) CTSLCTSBCTSSCTSKRAB9A
SCHEMBL23711785 0.90 CTSL (0.49) CTSLCTSBCTSSCTSKRAB9A
SCHEMBL21702267 0.90 CTSL (0.46) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL23506495 0.89 CTSK (0.46) CTSLCTSBCTSSCTSKRAB9A
SCHEMBL21702271 0.89 CTSK (0.46) CTSLCTSBCTSSCTSKRAB9A

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 CTSL 1/4885CTSB 8/4885CTSS 3/4885

“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