SCHEMBL2584262

SCHEMBL2584262

COc1ccc(-c2ccc3c(c2)CNC3=O)c(OCc2cccc(S(C)(=O)=O)c2)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.42
TARS1 P26639 1/20 0.38
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
DAPK3 O43293 1/20 0.35
NTRK1 P04629 1/20 0.35
PIM1 P11309 1/20 0.35
FLT3 P36888 1/20 0.35
GSK3B P49841 1/20 0.35
ROCK1 Q13464 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
PI4KB Q9UBF8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PRKCI P41743 1/20 0.35
PTGS2 P35354 1/20 0.34
TDP2 O95551 1/20 0.34
RIPK2 O43353 1/20 0.34

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
SCHEMBL2593103 0.92 TARS1 (0.40) TARS1MAPKAPK2DAPK3NTRK1PIM1
SCHEMBL2588115 0.90 PTGS2 (0.39) MAPKAPK2DAPK3NTRK1PIM1FLT3
SCHEMBL2591995 0.84 MAOA (0.44) SLC6A4ALOX5APFEN1
SCHEMBL2592812 0.83 CA1 (0.41) MAPKAPK2PTGS2
SCHEMBL2595335 0.83 PRF1 (0.46) ALOX5APFEN1MAPKAPK2ROCK1TDP2
SCHEMBL2593699 0.81 GYS1 (0.41) MAPKAPK2ROCK1L3MBTL1
SCHEMBL2584393 0.81 PDE4A (0.37) TARS1ALOX5APFEN1MAPKAPK2DAPK3
SCHEMBL14734764 0.80 MAPKAPK2 (0.44) MAPKAPK2DAPK3NTRK1PIM1FLT3
SCHEMBL14735760 0.78 GSK3B (0.42) TARS1MAPKAPK2DAPK3NTRK1PIM1
SCHEMBL2591027 0.78 GSK3B (0.43) MAPKAPK2DAPK3NTRK1PIM1FLT3

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 12 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-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US 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

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 SLC6A4 4396/4885TARS1 2416/4885ALOX5AP 1808/4885

“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.