SCHEMBL2585853

SCHEMBL2585853

COc1ccc(-c2cccc3c2CNC3=O)c(OCC2(C(=O)OC3CCCCC3)CCC2)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
PDE4A P27815 4/20 0.35
KDR P35968 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PDE4D Q08499 5/20 0.34
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PLK4 O00444 1/20 0.32
AURKA O14965 1/20 0.32
ROCK2 O75116 1/20 0.32
MAP4K4 O95819 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
LCK P06239 1/20 0.32
CDK1 P06493 1/20 0.32
CSF1R P07333 1/20 0.32
LYN P07948 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
SCHEMBL2591329 1.00 TP53 (0.37) TP53PDE4AKDRL3MBTL1PDE4D
SCHEMBL2588593 0.99 TP53 (0.36) TP53PDE4AKDRL3MBTL1PDE4D
SCHEMBL2594404 0.97 KDR (0.35) TP53PDE4AKDRPDE4DHDAC4
SCHEMBL2592882 0.97 TP53 (0.38) TP53PDE4AKDRL3MBTL1PDE4D
SCHEMBL2589710 0.97 TP53 (0.38) TP53PDE4AKDRL3MBTL1PDE4D
SCHEMBL2585897 0.97 TP53 (0.37) TP53PDE4AKDRL3MBTL1PDE4D
SCHEMBL2591520 0.95 KDR (0.35) TP53PDE4AKDRPDE4DHDAC4
SCHEMBL2585285 0.94 PDE4D (0.35) TP53PDE4AKDRPDE4DPDE4B
SCHEMBL2585180 0.91 KDR (0.38) KDRHDAC4HDAC2HDAC8PLK4
SCHEMBL2591040 0.90 PDE4D (0.36) PDE4APDE4DPDE4BPDE4C

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 TP53 4592/4885PDE4A 3/4885KDR 1971/4885

“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.