SCHEMBL23969585

SCHEMBL23969585

CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)NCC(=O)O)cc1)C(C)C)C(O)O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 14/20 0.51
CTSG P08311 1/20 0.51
TAAR1 Q96RJ0 1/20 0.50
CMA1 P23946 2/20 0.47
PREP P48147 1/20 0.46
XIAP P98170 1/20 0.46
MLX Q9UH92 1/20 0.46
MALT1 Q9UDY8 1/20 0.45

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
SCHEMBL23969580 0.86 ELANE (0.51) ELANECTSGTAAR1CMA1PREP
SCHEMBL28866281 0.86 ELANE (0.51) ELANECTSGTAAR1CMA1PREP
SCHEMBL28866278 0.86 ELANE (0.51) ELANECTSGTAAR1CMA1PREP
SCHEMBL3935567 0.85 ELANE (0.67) ELANECTSGCMA1
SCHEMBL30583172 0.85 ELANE (0.67) ELANECTSGCMA1
SCHEMBL20943154 0.85 ELANE (0.67) ELANECTSGCMA1
SCHEMBL3935563 0.85 ELANE (0.67) ELANECTSGCMA1
SCHEMBL20943188 0.85 ELANE (0.67) ELANECTSGCMA1
SCHEMBL20943149 0.83 ELANE (0.65) ELANECTSGCMA1
SCHEMBL28626508 0.82 ELANE (0.47) ELANECTSGTAAR1CMA1PREP

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-11161859-B2 Cu- and Ni-catalyzed decarboxylative borylation reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2021-11-02 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-11161859-B2 Cu- and Ni-catalyzed decarboxylative borylation reactions PCSK9, LIPA, ACSL3 ELANE 493/4885CTSG 780/4885TAAR1 4881/4885

“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.