SCHEMBL11993055

SCHEMBL11993055

[C-]#[N+]c1ccc(Oc2ccc3c(c2)COB3O)c(OCC(C)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.47
PDE4A P27815 13/20 0.47
PDE4C Q08493 11/20 0.47
PDE4D Q08499 11/20 0.47
CHRM1 P11229 1/20 0.43
ADRA1A P35348 1/20 0.43
PDE1A P54750 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE7A Q13946 1/20 0.43
PDE3A Q14432 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
SCHEMBL7865103 0.91 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL7865830 0.90 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL10186842 0.90 PDE4B (0.37) PDE4BPDE4APDE4CPDE4D
SCHEMBL7867407 0.89 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL7865158 0.88 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL7863629 0.88 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL7857629 0.88 PDE4B (0.63) PDE4BPDE4APDE4CPDE4D
SCHEMBL7863635 0.86 PDE4B (0.44) PDE4BPDE4APDE4CPDE4D
SCHEMBL7864595 0.84 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL11993068 0.84 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DCHRM1

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-9499570-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2016-11-22 US disclosed
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-20150376210-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-12-31 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 (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-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-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4B 936/4885PDE4A 1744/4885PDE4C 2197/4885
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.