SCHEMBL1135237

SCHEMBL1135237

O=[N+]([O-])c1ccc(Oc2ccc3c(c2)B(O)OC3)cc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.72
CA2 P00918 2/20 0.72
CA12 O43570 1/20 0.72
CA9 Q16790 1/20 0.72
KLK1 P06870 1/20 0.58
KLK5 Q9Y337 1/20 0.58
PDE4A P27815 3/20 0.52
PDE4B Q07343 3/20 0.52
PDE4C Q08493 3/20 0.52
PDE4D Q08499 3/20 0.52

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
SCHEMBL2529948 0.90 PDE4B (0.67) CA1CA2CA12CA9PDE4A
SCHEMBL1135266 0.89 CA1 (0.67) CA1CA2CA12CA9KLK1
SCHEMBL31729222 0.86 CA1 (0.67) CA1CA2CA12CA9KLK1
SCHEMBL31728077 0.86 CA1 (0.67) CA1CA2CA12CA9KLK1
SCHEMBL29522840 0.84 CA1 (1.00) CA1CA2CA12CA9
SCHEMBL594681 0.84 CA1 (1.00) CA1CA2CA12CA9
SCHEMBL2529971 0.81 PDE4B (0.55) CA1CA2CA12CA9PDE4A
SCHEMBL5583471 0.80 PDE4A (0.78) KLK1KLK5PDE4APDE4BPDE4C
SCHEMBL595898 0.80 PDE4A (0.78) KLK1KLK5PDE4APDE4BPDE4C
SCHEMBL3475067 0.79 KLK1 (0.69) CA1CA2CA12CA9KLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285384-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2011-02-23 EP 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
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
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 CA1 4452/4885CA2 1155/4885CA12 564/4885

“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.