SCHEMBL13814740

SCHEMBL13814740

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1nnc(-c2ccccc2)o1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.53
CMA1 P23946 4/20 0.51
CAPN1 P07384 2/20 0.50
MALT1 Q9UDY8 1/20 0.49
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47

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
SCHEMBL29366612 0.85 CMA1 (0.50) ELANECMA1CAPN1MALT1
SCHEMBL31628587 0.85 ELANE (0.51) ELANECMA1CAPN1MALT1
SCHEMBL7004717 0.85 ELANE (0.51) ELANECMA1CAPN1MALT1
SCHEMBL13822216 0.85 ELANE (0.55) ELANE
SCHEMBL7286279 0.84 CAPN1 (0.51) ELANECMA1CAPN1MALT1
SCHEMBL29427202 0.84 ELANE (0.49) ELANECMA1CAPN1MALT1
SCHEMBL13822217 0.84 ELANE (0.53) ELANE
SCHEMBL13299695 0.84 ELANE (0.57) ELANE
SCHEMBL1506200 0.81 ALDH1A1 (0.62) ELANECMA1CAPN1CTSLCTSB
SCHEMBL22209363 0.81 ALDH1A1 (0.62) ELANECMA1CAPN1CTSLCTSB

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-20090156509-A1 Tri-peptide Inhibitors of Serine Elastases ACCUTHERA, INC. (US) 2009-06-18 US disclosed
US-20090156509-A1 Tri-peptide Inhibitors of Serine Elastases ACCUTHERA, INC. (US) 2009-06-18 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-20090156509-A1 Tri-peptide Inhibitors of Serine Elastases SCTR, CTRC, SERPINB1 ELANE 4/4885CMA1 18/4885CAPN1 470/4885

“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.