SCHEMBL23969575

SCHEMBL23969575

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.48
CTSS P25774 2/20 0.48
PSENEN Q9NZ42 1/20 0.39
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
PREP P48147 1/20 0.38
TRPA1 O75762 2/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL29356656 1.00 CTSK (0.48) CTSKCTSSPSENENCA2CA1
SCHEMBL28359932 0.88 CA1 (0.39) CTSKCTSSCA2CA1CA7
SCHEMBL23969671 0.88 CA1 (0.39) CTSKCTSSCA2CA1CA7
SCHEMBL2675722 0.83 CTSS (0.47) CTSKCTSSPSENENCA2CA1
SCHEMBL2675721 0.83 CTSS (0.47) CTSKCTSSPSENENCA2CA1
SCHEMBL28356179 0.80 CYP2D6 (0.45) CTSKCTSSCA2CA1CA7
SCHEMBL23969597 0.76 CMA1 (0.49) CTSKCTSLCTSB
SCHEMBL23969596 0.76 CMA1 (0.49) CTSKCTSLCTSB
SCHEMBL24224267 0.76 CMA1 (0.49) CTSKCTSLCTSB
SCHEMBL23969568 0.76 CMA1 (0.49) CTSKCTSLCTSB

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 CTSK 49/4885CTSS 311/4885PSENEN 4011/4885
US-20220024949-A1 CU-AND NI-CATALYZED DECARBOXYLATIVE BORYLATION REACTIONS PCSK9, PCSK7, PCSK6 CTSK 32/4885CTSS 309/4885PSENEN 3871/4885

“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.