SCHEMBL2589905

SCHEMBL2589905

COc1ccc(-c2cccc3c2CCC3=O)c(OCc2ccc(S(C)(=O)=O)cc2)c1OCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
PDE4D Q08499 1/20 0.35
PTGER1 P34995 2/20 0.35

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
SCHEMBL2583872 0.90 KDM4E (0.49) BRD4KDM4EALDH1A1HPGDHCRTR1
SCHEMBL2592309 0.90 KDM4E (0.49) BRD4KDM4EALDH1A1HPGDHCRTR1
SCHEMBL14736801 0.85 KDM4E (0.41) BRD4KDM4EALDH1A1HPGDHCRTR1
SCHEMBL7712341 0.84 KDM4E (0.56) BRD4KDM4EALDH1A1HPGDHCRTR1
SCHEMBL17599573 0.84 KDM4E (0.56) BRD4KDM4EALDH1A1HPGDHCRTR1
SCHEMBL2594850 0.83 ALDH1A1 (0.41) BRD4KDM4EALDH1A1HPGDHCRTR1
SCHEMBL2584849 0.83 ALDH1A1 (0.49) BRD4KDM4EALDH1A1HPGDHCRTR1
SCHEMBL2594350 0.82 KDM4E (0.48) BRD4KDM4EALDH1A1HPGDHCRTR1
SCHEMBL2584463 0.81 KDM4E (0.48) KDM4EALDH1A1HPGDPTGS1PTGS2
SCHEMBL2591462 0.81 KDM4E (0.48) KDM4EALDH1A1HPGDPTGS1PTGS2

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 16 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 claimed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US claimed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US claimed
EP-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP claimed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 WO claimed
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed
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
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 BRD4 333/4885KDM4E 1593/4885ALDH1A1 824/4885

“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.