SCHEMBL13463546

SCHEMBL13463546

CC(C)CCOc1nc(Nc2ccc3c(c2)COB3O)ccc1C#N

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.56
PDE4A P27815 12/20 0.53
PDE4C Q08493 3/20 0.51
PDE4D Q08499 3/20 0.51

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
SCHEMBL12489126 0.96 PDE4B (0.55) PDE4BPDE4APDE4CPDE4D
SCHEMBL13463550 0.91 PDE4B (0.53) PDE4BPDE4APDE4CPDE4D
SCHEMBL13463554 0.90 PDE4B (0.69) PDE4BPDE4APDE4CPDE4D
SCHEMBL13463549 0.90 PDE4B (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL13463547 0.89 PDE4B (0.57) PDE4BPDE4APDE4CPDE4D
SCHEMBL13463555 0.89 PDE4B (0.55) PDE4BPDE4APDE4CPDE4D
SCHEMBL13463556 0.89 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL12489698 0.89 PDE4B (0.43) PDE4BPDE4APDE4CPDE4D
SCHEMBL13463552 0.88 PDE4B (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL13463548 0.88 PDE4B (0.51) PDE4BPDE4APDE4CPDE4D

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-20130289000-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2013-10-31 US disclosed
US-8470803-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-25 US disclosed
WO-2010027975-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-03-11 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 (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-20130289000-A1 BORON-CONTAINING SMALL MOLECULES NFKBIA, BCL6B, TNF PDE4B 543/4885PDE4A 878/4885PDE4C 1267/4885

“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.