SCHEMBL2589772

SCHEMBL2589772

COc1ccc(-c2cccc3c2COC3=O)c(OCC2(C(=O)OC3CCC3)CCC2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.43
MAOB P27338 2/20 0.33
TP53 P04637 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
PTPRF P10586 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 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
SCHEMBL2592376 0.98 PDE4D (0.43) PDE4DMAOBTP53HDAC4HDAC2
SCHEMBL2584140 0.97 PDE4D (0.43) PDE4DMAOBTP53HDAC4HDAC2
SCHEMBL14737568 0.97 PDE4D (0.43) PDE4DMAOBTP53HDAC4HDAC2
SCHEMBL14737217 0.97 PDE4D (0.43) PDE4DMAOBTP53HDAC4HDAC2
SCHEMBL14738673 0.96 PDE4D (0.43) PDE4DMAOBTP53HDAC4HDAC2
SCHEMBL2589499 0.95 PDE4D (0.43) PDE4DMAOBTP53HDAC4HDAC2
SCHEMBL2589438 0.95 PDE4D (0.44) PDE4DMAOBTP53HDAC4HDAC2
SCHEMBL2591715 0.95 PDE4D (0.44) PDE4DMAOBTP53HDAC4HDAC2
SCHEMBL2592244 0.92 PDE4D (0.40) PDE4DMAOBHDAC4HDAC2HDAC8
SCHEMBL2592813 0.92 PDE4D (0.44) PDE4D

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 10/4885MAOB 223/4885TP53 4592/4885

“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.