SCHEMBL5583362

SCHEMBL5583362

N#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1C#N.N#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 1.00
PDE4A P27815 13/20 0.74
PDE4C Q08493 11/20 0.74
PDE4D Q08499 11/20 0.74
CHRM1 P11229 1/20 0.74
ADRA1A P35348 1/20 0.74
PDE1A P54750 1/20 0.74
PDE3B Q13370 1/20 0.74
PDE7A Q13946 1/20 0.74
PDE3A Q14432 1/20 0.74

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
SCHEMBL597111 1.00 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL2232240 0.90 PDE4B (0.81) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL2526722 0.88 PDE4B (0.79) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL20624715 0.88 PDE4B (0.79) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL2531105 0.88 PDE4B (0.79) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL2528137 0.86 PDE4B (0.76) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL12432086 0.86 PDE4B (0.76) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL10186655 0.85 PDE4B (0.74) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL12431090 0.85 PDE4B (0.74) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL2527560 0.85 PDE4B (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059803-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 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 (2 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-20130059803-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 PDE4B 4444/4885PDE4A 4397/4885PDE4C 4585/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 PDE4B 4444/4885PDE4A 4397/4885PDE4C 4585/4885

“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.