SCHEMBL3472670

SCHEMBL3472670

NC(=O)c1ccc(Oc2ccc3c(c2)B(O)OC3)nc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.60
KLK1 P06870 2/20 0.58
KLK5 Q9Y337 2/20 0.58
OPRM1 P35372 4/20 0.51
HRH3 Q9Y5N1 1/20 0.51
OPRD1 P41143 3/20 0.49
OPRK1 P41145 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL3472698 0.84 PDE4B (0.85) PDE4BKLK1KLK5CA1CA2
SCHEMBL13637188 0.83 CA12 (0.57) PDE4BKLK1KLK5CA12CA1
SCHEMBL13111041 0.81 PDE4B (0.57) PDE4BKLK1KLK5
SCHEMBL2530691 0.81 PDE4B (0.74) PDE4B
SCHEMBL3473905 0.78 CA12 (0.53) PDE4BKLK1KLK5CA12CA1
SCHEMBL3472754 0.78 PDE4B (0.83) PDE4BKLK1KLK5
SCHEMBL2530683 0.78 PDE4B (0.79) PDE4B
SCHEMBL3475972 0.78 CA12 (0.59) PDE4BKLK1KLK5CA12CA1
SCHEMBL13111069 0.77 PDE4B (0.52) PDE4BKLK1KLK5
SCHEMBL22939827 0.77 CA1 (0.73) KLK1KLK5CA12CA1CA2

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 4 patents. 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
US-20100256092-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
US-20100256092-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
WO-2009140309-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2009-11-19 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-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.