SCHEMBL17675264

SCHEMBL17675264

COc1cc(Cl)cc(B(O)OC(C)(C)C(C)(C)O)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.33
MAP3K14 Q99558 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 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
SCHEMBL1983047 0.89 ALDH1A1 (0.39) ENPP2CA1CA2
SCHEMBL17675421 0.78 MGLL (0.32) ENPP2
SCHEMBL2300859 0.77 ENPP2 (0.57) ENPP2CA1CA2
SCHEMBL557225 0.76 MEN1 (0.38)
SCHEMBL219239 0.76 CYP11B1 (0.34) ENPP2
SCHEMBL366006 0.76 CA1 (0.52) ENPP2CA1CA2
SCHEMBL4592239 0.75 PGR (0.35) ENPP2
SCHEMBL519259 0.75 ENPP2 (0.52) ENPP2CA1CA2
SCHEMBL29427153 0.75 ENPP2 (0.52) ENPP2CA1CA2
SCHEMBL3764758 0.74

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053453-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-08-21 US disclosed
US-20170313686-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2017-11-02 US disclosed
WO-2016055858-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2016-04-14 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-20170313686-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP ENPP2 586/4885MAP3K14 2626/4885CA1 2432/4885
US-10053453-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP ENPP2 586/4885MAP3K14 2626/4885CA1 2432/4885

“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.