SCHEMBL23969592

SCHEMBL23969592

COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 14/20 0.53
XIAP P98170 1/20 0.51
CMA1 P23946 3/20 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
SCHEMBL10299169 0.91 ELANE (0.51) ELANECMA1
SCHEMBL13014698 0.91 ELANE (0.51) ELANECMA1
SCHEMBL23969584 0.88 CMA1 (0.59) ELANECMA1
SCHEMBL3265287 0.87 ELANE (0.52) ELANEXIAP
SCHEMBL5992849 0.87 ELANE (0.52) ELANEXIAP
SCHEMBL12598148 0.87 ACE (0.52)
SCHEMBL239407 0.87 ACE (0.52)
SCHEMBL242197 0.87 ACE (0.52)
SCHEMBL239406 0.87 ACE (0.52)
SCHEMBL12567110 0.87 ACE (0.52)

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-20220024949-A1 CU-AND NI-CATALYZED DECARBOXYLATIVE BORYLATION REACTIONS THE SCRIPPS RESEARCH INSTITUTE 2022-01-27 US disclosed
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 (2 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 493/4885XIAP 245/4885CMA1 31/4885
US-20220024949-A1 CU-AND NI-CATALYZED DECARBOXYLATIVE BORYLATION REACTIONS PCSK9, PCSK7, PCSK6 ELANE 530/4885XIAP 366/4885CMA1 14/4885

“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.