SCHEMBL26494831

SCHEMBL26494831

O=C(NCc1ccccc1)C(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@@H](CC1CCCCC1)NC(=O)c1cc2ccccc2o1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.48
▸ CTSS P25774 2/20 0.48
▸ CTSK P43235 1/20 0.48
▸ REN P00797 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ F2RL1 P55085 2/20 0.42

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
SCHEMBL21702035 1.00 CTSL (0.48) CTSLCTSSCTSKRENCTSB
SCHEMBL26494777 0.96 CTSL (0.47) CTSLCTSSCTSKRENCTSB
SCHEMBL23712029 0.96 CTSL (0.49) CTSLCTSSCTSKRENCTSB
SCHEMBL21702176 0.96 CTSL (0.49) CTSLCTSSCTSKRENCTSB
SCHEMBL26494560 0.94 CTSL (0.48) CTSLCTSSCTSKRENF2RL1
SCHEMBL26494573 0.94 CTSL (0.46) CTSLCTSSCTSKRENF2RL1
SCHEMBL26494547 0.93 CTSS (0.45) CTSLCTSSCTSKRENCTSB
SCHEMBL26494793 0.93 CTSL (0.45) CTSLCTSSCTSKRENCTSB
SCHEMBL26494652 0.93 CTSL (0.48) CTSLCTSSCTSKRENF2RL1
SCHEMBL26494685 0.93 CTSS (0.49) CTSLCTSSCTSKREN

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 1 patent. 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

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 1/4885CTSS 3/4885CTSK 13/4885

“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.

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