SCHEMBL3472792

SCHEMBL3472792

COc1cccc(Oc2ccc3c(c2)B(O)OC3)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.64
PDE4B Q07343 2/20 0.64
PDE4C Q08493 2/20 0.64
PDE4D Q08499 2/20 0.64
KLK1 P06870 1/20 0.57
KLK5 Q9Y337 1/20 0.57
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA4 P22748 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54

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
SCHEMBL5583340 0.90 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DKLK1
SCHEMBL595681 0.90 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DKLK1
SCHEMBL1135194 0.90 CA1 (0.64) PDE4APDE4BPDE4CPDE4DKLK1
SCHEMBL12521418 0.86 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DKLK1
SCHEMBL5583471 0.85 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DKLK1
SCHEMBL595898 0.85 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DKLK1
SCHEMBL1135219 0.84 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DKLK1
SCHEMBL1135299 0.84 CA12 (0.65) PDE4APDE4BPDE4CPDE4DKLK1
SCHEMBL13127062 0.83 PDE4B (0.52) PDE4APDE4BPDE4CPDE4DKLK1
SCHEMBL1135245 0.82 PDE4B (0.56) PDE4BKLK1KLK5

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 PDE4A 3243/4885PDE4B 1890/4885PDE4C 3275/4885

“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.