SCHEMBL11993069

SCHEMBL11993069

CC(=O)c1ccc(Oc2ccc3c(c2)COB3O)nc1C(C)=O

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.70
PDE4A P27815 5/20 0.55
PDE4C Q08493 5/20 0.55
PDE4D Q08499 5/20 0.55
PDE1A P54750 1/20 0.53
PDE1B Q01064 1/20 0.53
PDE7A Q13946 1/20 0.53

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
SCHEMBL2531010 0.85 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL2531014 0.83 PDE4B (0.68) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL23513121 0.82 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL11993099 0.81 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL18015994 0.80 PDE4B (0.69) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL18015946 0.80 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL2528051 0.80 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL23512856 0.80 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL11993076 0.79 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL18015953 0.79 PDE4B (0.73) PDE4BPDE4APDE4CPDE4DPDE1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2016-11-03 US disclosed
US-9416146-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, LLC 2015-10-15 US disclosed
US-9012431-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2014-01-09 US disclosed
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2012-08-23 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 (4 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-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 PDE4B 776/4885PDE4A 1019/4885PDE4C 1729/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 PDE4B 776/4885PDE4A 1019/4885PDE4C 1729/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 PDE4B 776/4885PDE4A 1019/4885PDE4C 1729/4885
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 PDE4B 776/4885PDE4A 1019/4885PDE4C 1729/4885

“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.