SCHEMBL10186803

SCHEMBL10186803

[2H]C1([2H])OB(O)c2c(C)cc(Oc3nc(C)c([N+]#[C-])cc3Cl)cc21

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.44
PDE4B Q07343 8/20 0.44

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
SCHEMBL10186794 0.92 PDE4A (0.44) PDE4APDE4B
SCHEMBL10186745 0.90 PDE4A (0.54) PDE4APDE4B
SCHEMBL10186806 0.84 PDE4B (0.42) PDE4APDE4B
SCHEMBL10186805 0.81 PDE4A (0.30) PDE4APDE4B
SCHEMBL10186679 0.80 PDE4B (0.45) PDE4APDE4B
SCHEMBL10186807 0.78 PDE4B (0.42) PDE4APDE4B
SCHEMBL10186784 0.77 PDE4A (0.33) PDE4APDE4B
SCHEMBL10186822 0.77 PDE4A (0.34) PDE4APDE4B
SCHEMBL10186789 0.77 PDE4A (0.31) PDE4APDE4B
SCHEMBL10186727 0.76 PDE4B (0.53) PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-02-09 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 (1 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-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4A 1744/4885PDE4B 936/4885

“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.