SCHEMBL13470643

SCHEMBL13470643

Cc1ccc(S(=O)(=O)c2ccc3c(c2)B(O)OC3)cc1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.53
CA2 P00918 11/20 0.53
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
CA9 Q16790 10/20 0.50
CA12 O43570 9/20 0.50
CA4 P22748 6/20 0.49
GAA P10253 1/20 0.46
CA7 P43166 1/20 0.43

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
SCHEMBL2276221 0.87 CA1 (0.54) CA1CA2PDE4APDE4BPDE4C
SCHEMBL595494 0.86 CA1 (0.56) CA1CA2PDE4APDE4BPDE4C
SCHEMBL596472 0.85 PDE4A (0.58) CA1CA2PDE4APDE4BPDE4C
SCHEMBL5583215 0.85 PDE4A (0.58) CA1CA2PDE4APDE4BPDE4C
SCHEMBL3255012 0.82 CA1 (0.49) CA1CA2CA9CA12CA4
SCHEMBL13429353 0.80 CA1 (0.60) CA1CA2CA9CA12CA4
SCHEMBL8076402 0.80 CA1 (0.62) CA1CA2PDE4APDE4BPDE4C
SCHEMBL2278403 0.80 CA1 (0.47) CA1CA2CA9CA12CA4
SCHEMBL2286421 0.77 CA1 (0.47) CA1CA2CA9CA12CA4
SCHEMBL12375090 0.76 CA1 (0.46) CA1CA2CA9CA12CA4

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
US-20170258819-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2017-09-14 US disclosed
US-9682092-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
US-20150216885-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2015-08-06 US disclosed
US-9029353-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
US-8501712-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-08-06 US disclosed
US-20120264714-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2012-10-18 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-20150216885-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, TNF CA1 1986/4885CA2 886/4885PDE4A 1336/4885
US-20120264714-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, TNF CA1 1986/4885CA2 886/4885PDE4A 1336/4885
US-20170258819-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, TNF CA1 1986/4885CA2 886/4885PDE4A 1336/4885

“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.