SCHEMBL2585285

SCHEMBL2585285

COc1ccc(-c2cccc3c2CNC3=O)c(OCC2(C(=O)OC3CCOCC3)CCC2)c1OC

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 11/20 0.35
KDR P35968 1/20 0.33
TP53 P04637 1/20 0.33
PDE4A P27815 5/20 0.32
PDE4B Q07343 3/20 0.32
PDE4C Q08493 3/20 0.32
EZH2 Q15910 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL2591542 0.97 PDE4D (0.35) PDE4DKDRTP53PDE4APDE4B
SCHEMBL2592529 0.95 PDE4D (0.36) PDE4DPDE4APDE4BPDE4C
SCHEMBL2591040 0.95 PDE4D (0.36) PDE4DPDE4APDE4BPDE4C
SCHEMBL2594404 0.94 KDR (0.35) PDE4DKDRTP53PDE4AALDH1A1
SCHEMBL2588593 0.94 TP53 (0.36) PDE4DKDRTP53PDE4APDE4B
SCHEMBL2585853 0.94 TP53 (0.37) PDE4DKDRTP53PDE4APDE4B
SCHEMBL2591329 0.94 TP53 (0.37) PDE4DKDRTP53PDE4APDE4B
SCHEMBL2589428 0.92 PDE4D (0.37) PDE4DKDRPDE4APDE4BPDE4C
SCHEMBL2589695 0.92 PDE4D (0.37) PDE4DKDRPDE4APDE4BPDE4C
SCHEMBL14737091 0.92 PDE4D (0.37) PDE4DKDRPDE4APDE4BPDE4C

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 10/4885KDR 1971/4885TP53 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.