SCHEMBL13111069

SCHEMBL13111069

Cc1cnc(Oc2ccc3c(c2)B(O)OC3)cn1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.52
KLK1 P06870 1/20 0.51
KLK5 Q9Y337 1/20 0.51
PDE4A P27815 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50

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
SCHEMBL13111041 0.86 PDE4B (0.57) PDE4BKLK1KLK5PDE4APDE4C
SCHEMBL3473905 0.83 CA12 (0.53) PDE4BKLK1KLK5PDE4APDE4C
SCHEMBL1135265 0.83 PDE4B (0.51) PDE4BKLK1KLK5
SCHEMBL13637220 0.82 KLK1 (0.51) PDE4BKLK1KLK5PDE4CPDE4D
SCHEMBL13111042 0.81 PDE4B (0.52) PDE4BKLK1KLK5PDE4APDE4C
SCHEMBL13637188 0.81 CA12 (0.57) PDE4BKLK1KLK5
SCHEMBL13111053 0.81 PDE4B (0.54) PDE4BKLK1KLK5PDE4APDE4C
SCHEMBL3472754 0.78 PDE4B (0.83) PDE4BKLK1KLK5PDE4APDE4C
SCHEMBL13470651 0.78 PDE4A (0.78) PDE4BKLK1KLK5PDE4APDE4C
SCHEMBL3472698 0.78 PDE4B (0.85) PDE4BKLK1KLK5PDE4APDE4C

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-20100256092-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-07 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-20100256092-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD PDE4B 1890/4885KLK1 1578/4885KLK5 1864/4885

“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.