SCHEMBL7855431

SCHEMBL7855431

[C-]#[N+]c1ccc(Oc2ccc3c(c2)COB3O)nc1OCCOC(C)=O

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.73
PDE4A P27815 6/20 0.73
PDE4C Q08493 1/20 0.73
PDE4D Q08499 1/20 0.73
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE7A Q13946 1/20 0.44

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
SCHEMBL7864196 0.90 PDE4B (0.72) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL7862605 0.89 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL7865810 0.88 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL7857370 0.87 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL7865508 0.87 PDE4B (0.72) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL7861008 0.86 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL7863194 0.86 PDE4B (0.70) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL7862864 0.86 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL2527006 0.84 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL7868407 0.84 PDE4B (0.56) 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 9 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
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 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 (5 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-20090291917-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.