SCHEMBL2591487

SCHEMBL2591487

COc1ccc(-c2ccc3c(c2)COC3=O)c(OCC(C)(C)C(=O)OCC(C)C)c1OC

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PRF1 P14222 2/20 0.42
PTPN11 Q06124 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.37

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
SCHEMBL2593338 0.90 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CPRF1
SCHEMBL2592611 0.90 PRF1 (0.48) PDE4DPDE4APDE4BPDE4CPRF1
SCHEMBL2581715 0.89 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CPRF1
SCHEMBL2588510 0.89 PDE4D (0.44) PDE4DPRF1ABCG2
SCHEMBL2588172 0.89 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CPRF1
SCHEMBL2592265 0.88 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CPRF1
SCHEMBL14736571 0.87 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CPRF1
SCHEMBL14737156 0.87 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPRF1
SCHEMBL14736731 0.87 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CPRF1
SCHEMBL2593089 0.86 PDE4D (0.44) PDE4DPRF1ABCG2

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
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
EP-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP disclosed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 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 (1 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-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE4A PDE4D 10/4885PDE4A 3/4885PDE4B 5/4885

“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.