SCHEMBL23969671

SCHEMBL23969671

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
KMT2A Q03164 2/20 0.38
CTSK P43235 4/20 0.37
CTSS P25774 3/20 0.37
CYP2D6 P10635 1/20 0.36
GLS O94925 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
GLA P06280 2/20 0.34
CTSL P07711 2/20 0.33
CTSB P07858 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RCE1 Q9Y256 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ELANE P08246 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
SCHEMBL28359932 1.00 CA1 (0.39) CA1CA2CA7KMT2ACTSK
SCHEMBL29356656 0.88 CTSK (0.48) CA1CA2CA7CTSKCTSS
SCHEMBL23969575 0.88 CTSK (0.48) CA1CA2CA7CTSKCTSS
SCHEMBL28356179 0.78 CYP2D6 (0.45) CA1CA2CA7KMT2ACTSK
SCHEMBL31550833 0.73 CA1 (0.39) CA1CA2CA7KMT2ACTSK
SCHEMBL22762818 0.73 CA1 (0.39) CA1CA2CA7KMT2ACTSK
SCHEMBL30171133 0.73 CA1 (0.39) CA1CA2CA7KMT2ACTSK
SCHEMBL22979292 0.72 KMT2A (0.49) CA1CA2CA7KMT2ACTSK
SCHEMBL18086766 0.72 KMT2A (0.49) CA1CA2CA7KMT2ACTSK
SCHEMBL2675722 0.71 CTSS (0.47) CA1CA2CA7CTSKCTSS

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
CN-110799193-B Copper and nickel catalyzed decarboxylation borylation 斯克利普斯研究院 2023-12-12 CN disclosed
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
CN-110799193-A Copper and nickel catalyzed decarboxylation and boriding reactions 斯克利普斯研究院 2020-02-14 CN 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 CA1 3225/4885CA2 789/4885CA7 506/4885
US-20220024949-A1 CU-AND NI-CATALYZED DECARBOXYLATIVE BORYLATION REACTIONS PCSK9, PCSK7, PCSK6 CA1 2860/4885CA2 575/4885CA7 390/4885

“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.