SCHEMBL10186704

SCHEMBL10186704

[C-]#[N+]c1cc(C)c(Oc2cc(C)c3c(c2)COB3O)cc1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.39
PDE4B Q07343 9/20 0.39
RPS6KA1 Q15418 6/20 0.36
AKT1 P31749 5/20 0.36
ROCK2 O75116 4/20 0.36
ROCK1 Q13464 4/20 0.36
PDE4C Q08493 6/20 0.36
PDE4D Q08499 6/20 0.36
PRKCA P17252 2/20 0.33
GRK2 P25098 1/20 0.32

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
SCHEMBL10186762 0.90 PDE4A (0.43) PDE4APDE4BRPS6KA1AKT1ROCK2
SCHEMBL10186789 0.88 PDE4A (0.31) PDE4APDE4B
SCHEMBL10186778 0.88 PDE4A (0.31) PDE4APDE4B
SCHEMBL10186625 0.87
SCHEMBL10186651 0.82 PDE4B (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL10186701 0.81 PDE4B (0.43) PDE4APDE4BRPS6KA1AKT1ROCK2
SCHEMBL10186679 0.81 PDE4B (0.45) PDE4APDE4BRPS6KA1AKT1ROCK2
SCHEMBL10186699 0.79 PDE4A (0.41) PDE4APDE4BROCK2ROCK1PDE4C
SCHEMBL10186754 0.76 PDE4A (0.45) PDE4APDE4BRPS6KA1AKT1ROCK2
SCHEMBL10186745 0.76 PDE4A (0.54) PDE4APDE4BRPS6KA1AKT1ROCK2

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-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-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-20120035132-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-02-09 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-20140200198-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4A 1744/4885PDE4B 936/4885RPS6KA1 3630/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4A 1744/4885PDE4B 936/4885RPS6KA1 3630/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4A 1744/4885PDE4B 936/4885RPS6KA1 3630/4885

“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.