SCHEMBL566144

SCHEMBL566144

Cc1cc(Oc2nc(OCCOC(C)C)c(C#N)cc2Cl)cc2c1B(O)OC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 1.00
PDE4A P27815 13/20 1.00
PDE4C Q08493 2/20 0.53
PDE4D Q08499 2/20 0.53
ROCK2 O75116 1/20 0.33
PRKCA P17252 1/20 0.33
AKT1 P31749 1/20 0.33
ROCK1 Q13464 1/20 0.33
RPS6KA1 Q15418 1/20 0.33

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
SCHEMBL566099 0.92 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DROCK2
SCHEMBL15662623 0.87 PDE4B (0.92) PDE4BPDE4APDE4CPDE4DROCK2
SCHEMBL564733 0.86 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL10186957 0.85 PDE4B (0.75) PDE4BPDE4APDE4CPDE4DROCK2
SCHEMBL565846 0.85 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL10186739 0.82 PDE4B (0.69) PDE4BPDE4APDE4CPDE4D
SCHEMBL15662451 0.82 PDE4B (0.92) PDE4BPDE4APDE4CPDE4D
SCHEMBL15662533 0.82 PDE4B (0.82) PDE4BPDE4APDE4CPDE4D
SCHEMBL565869 0.80 PDE4B (0.75) PDE4BPDE4APDE4CPDE4D
SCHEMBL15661089 0.80 PDE4B (0.80) PDE4BPDE4APDE4CPDE4D

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 12 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-9499570-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2016-11-22 US disclosed
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-12-31 US disclosed
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-12-31 US disclosed
US-9145429-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2015-09-29 US disclosed
US-20140200198-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-07-17 US disclosed
US-8716478-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-8716478-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-02-09 US disclosed
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-02-09 US disclosed
WO-2011094450-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC (US) 2011-08-04 WO disclosed
WO-2011094450-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC (US) 2011-08-04 WO 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-20140200198-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4B 936/4885PDE4A 1744/4885PDE4C 2197/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4B 936/4885PDE4A 1744/4885PDE4C 2197/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4B 936/4885PDE4A 1744/4885PDE4C 2197/4885

“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.