SCHEMBL14872122

SCHEMBL14872122

C[C@@H](Cl)OC(=O)CN(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ CTSK P43235 1/20 0.32

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
SCHEMBL12230753 0.81 LMNA (0.43) CTSLCTSBCTSK
SCHEMBL10299282 0.77 MMP1 (0.32) CTSLCTSBCTSK
SCHEMBL19821996 0.76 CTSL (0.37) CTSLCTSBCTSK
SCHEMBL9065292 0.75 MGAM (0.38) —
SCHEMBL11601735 0.75 LMNA (0.41) —
SCHEMBL1171171 0.73 — —
SCHEMBL7233887 0.73 — —
SCHEMBL16904007 0.71 — —
SCHEMBL10875233 0.71 MMP1 (0.54) —
SCHEMBL27299233 0.71 — —

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-8841281-B2 Transition metal complexes of amino acids and related ligands and their use as catalysts, anti-microbials, and anti-cancer agents VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2014-09-23 — — US disclosed
US-20130096090-A1 TRANSITION METAL COMPLEXES OF AMINO ACIDS AND RELATED LIGANDS AND THEIR USE AS CATALYSTS, ANTI-MICROBIALS, AND ANTI-CANCER AGENTS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2013-04-18 — — 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-20130096090-A1 TRANSITION METAL COMPLEXES OF AMINO ACIDS AND RELATED LIGANDS AND THEIR USE AS CATALYSTS, ANTI-MICROBIALS, AND ANTI-CANCER AGENTS MCL1, GLS, ERAL1 CTSL 327/4885CTSB 935/4885CTSK 1318/4885

“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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