SCHEMBL2590843

SCHEMBL2590843

COc1ccc(-c2ccc3c(c2)CNC3=O)c(OCC(=O)OC2CCCC2)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
GSK3B P49841 2/20 0.40
POLQ O75417 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
DAPK3 O43293 1/20 0.36
NTRK1 P04629 1/20 0.36
PIM1 P11309 1/20 0.36
FLT3 P36888 1/20 0.36
ROCK1 Q13464 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
PDE4B Q07343 4/20 0.36
PDE4A P27815 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2590021 0.98 GSK3B (0.40) MAPTHTTGSK3BPOLQALDH1A1
SCHEMBL14737996 0.94 MAPT (0.40) MAPTHTTGSK3BPOLQALDH1A1
SCHEMBL2593800 0.92 GSK3B (0.39) MAPTHTTGSK3BPOLQALDH1A1
SCHEMBL2581983 0.88 POLQ (0.42) GSK3BPOLQMAPKAPK2DAPK3NTRK1
SCHEMBL2588354 0.86 GSK3B (0.39) GSK3BPOLQMAPKAPK2DAPK3NTRK1
SCHEMBL2592264 0.86 POLQ (0.41) GSK3BPOLQMAPKAPK2DAPK3NTRK1
SCHEMBL2592192 0.85 GSK3B (0.38) MAPTHTTGSK3BPOLQMAPKAPK2
SCHEMBL2592916 0.85 POLQ (0.41) MAPTGSK3BPOLQALDH1A1MAPKAPK2
SCHEMBL2591578 0.85 GSK3B (0.38) MAPTHTTGSK3BPOLQALDH1A1
SCHEMBL2584293 0.85 GSK3B (0.38) MAPTHTTGSK3BPOLQALDH1A1

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 MAPT 4737/4885HTT 4826/4885GSK3B 350/4885

“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.