SCHEMBL20511002

SCHEMBL20511002

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)O)C(C)C)B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 14/20 0.42
XIAP P98170 2/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
MLX Q9UH92 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL20511005 1.00 ELANE (0.42) ELANEXIAPDPP4DPP8DPP9
SCHEMBL20511009 1.00 ELANE (0.42) ELANEXIAPDPP4DPP8DPP9
SCHEMBL23969632 0.90 ELANE (0.43) ELANE
SCHEMBL23969597 0.86 CMA1 (0.49) ELANE
SCHEMBL24224267 0.86 CMA1 (0.49) ELANE
SCHEMBL28359828 0.86 CMA1 (0.49) ELANE
SCHEMBL23969596 0.86 CMA1 (0.49) ELANE
SCHEMBL23969568 0.86 CMA1 (0.49) ELANE
SCHEMBL28359826 0.86 CMA1 (0.49) ELANE
SCHEMBL28626508 0.82 ELANE (0.47) ELANE

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 4 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
EP-3600333-A1 CU-AND NI-CATALYZED DECARBOXYLATIVE BORYLATION REACTIONS The Scripps Research Institute (US) 2020-02-05 EP disclosed
WO-2018175173-A1 CU-AND NI-CATALYZED DECARBOXYLATIVE BORYLATION REACTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2018-09-27 WO 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 245/4885DPP4 324/4885
US-20220024949-A1 CU-AND NI-CATALYZED DECARBOXYLATIVE BORYLATION REACTIONS PCSK9, PCSK7, PCSK6 ELANE 530/4885XIAP 366/4885DPP4 362/4885

“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.