SCHEMBL5583512

SCHEMBL5583512

OCc1ccc2c(c1)COB2OCc1ccc2c(c1)COB2O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
PDE3A Q14432 2/20 0.47
KLK5 Q9Y337 2/20 0.46
PDE4B Q07343 12/20 0.44
PDE4A P27815 9/20 0.44
PDE4C Q08493 9/20 0.44
PDE4D Q08499 9/20 0.44
CHRM1 P11229 1/20 0.40
ADRA1A P35348 1/20 0.40
PDE1A P54750 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE7A Q13946 1/20 0.40
KLK1 P06870 1/20 0.40

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
SCHEMBL5583511 0.87 CA1 (0.59) CA1CA2PDE3AKLK5PDE4B
SCHEMBL500368 0.87 CA1 (0.59) CA1CA2PDE3AKLK5PDE4B
SCHEMBL2527455 0.75 PDE4B (0.72) PDE3APDE4BPDE4APDE4CPDE4D
SCHEMBL12375128 0.75 CA1 (0.59) CA1CA2KLK5KLK1
SCHEMBL23701742 0.74 CA1 (0.51) CA1CA2PDE3AKLK5PDE4B
SCHEMBL21821453 0.73 CA1 (0.56) CA1CA2PDE3AKLK5PDE4B
SCHEMBL14363857 0.73 CA1 (0.57) CA1CA2PDE3AKLK5PDE4B
SCHEMBL19605204 0.73 CA1 (0.57) CA1CA2PDE3AKLK5PDE4B
SCHEMBL12475434 0.73 CA1 (0.57) CA1CA2PDE3AKLK5PDE4B
SCHEMBL23701726 0.71 CA1 (0.48) CA1CA2PDE3AKLK5PDE4B

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-9353133-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20140221631-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-08-07 US disclosed
US-20130059803-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 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 (3 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-20140221631-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CA1 4091/4885CA2 1368/4885PDE3A 4505/4885
US-20130059803-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CA1 4091/4885CA2 1368/4885PDE3A 4505/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 CA1 4091/4885CA2 1368/4885PDE3A 4505/4885

“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.