SCHEMBL2591995

SCHEMBL2591995

COc1ccc(-c2ccc3c(c2)COC3=O)c(OCc2cccc(S(C)(=O)=O)c2)c1OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.44
MAOB P27338 5/20 0.44
PRF1 P14222 5/20 0.41
PDE4D Q08499 1/20 0.39
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
SLC6A4 P31645 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
ABCG2 Q9UNQ0 3/20 0.38
CYP3A4 P08684 1/20 0.38
ABCB1 P08183 1/20 0.38
ACHE P22303 1/20 0.37
IMPDH2 P12268 1/20 0.37

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
SCHEMBL14736965 0.92 PRF1 (0.50) MAOAMAOBPRF1PDE4DKDM4E
SCHEMBL2590026 0.91 MAOA (0.46) MAOAMAOBPRF1PDE4DKDM4E
SCHEMBL14737286 0.90 MAOA (0.42) MAOAMAOBPRF1PDE4DKDM4E
SCHEMBL7713939 0.90 MAOA (0.43) MAOAMAOBPRF1ALOX5APFEN1
SCHEMBL2589783 0.87 MAOA (0.46) MAOAMAOBPRF1PDE4DKDM4E
SCHEMBL2584262 0.84 SLC6A4 (0.42) ALOX5APFEN1SLC6A4
SCHEMBL7711333 0.84 MAOA (0.44) MAOAMAOBPRF1PDE4DABCG2
SCHEMBL14737565 0.84 MAOA (0.45) MAOAMAOBPRF1PDE4DKDM4E
SCHEMBL17613829 0.83 MAOA (0.41) MAOAMAOBPRF1PDE4DKDM4E
SCHEMBL14737349 0.83 PRF1 (0.50) MAOAMAOBPRF1PDE4DABCG2

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 14 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
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 MAOA 191/4885MAOB 223/4885PRF1 3550/4885

“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.