SCHEMBL14736801

SCHEMBL14736801

COc1ccc(-c2cccc3c2CCC3=O)c(OCc2ccc(S(C)(=O)=O)cc2)c1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
PTGER1 P34995 3/20 0.35
BRD4 O60885 2/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
PDE4D Q08499 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PTGS2 P35354 4/20 0.33
PTGS1 P23219 1/20 0.33
POLB P06746 1/20 0.32
RECQL P46063 1/20 0.32
DRD1 P21728 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 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
SCHEMBL7715095 0.93 KDM4E (0.39) KDM4EALDH1A1HPGDALOX5APFEN1
SCHEMBL2584646 0.92 KDM4E (0.41) KDM4EALDH1A1HPGDALOX5APFEN1
SCHEMBL2583872 0.91 KDM4E (0.49) KDM4EALDH1A1HPGDALOX5APFEN1
SCHEMBL2592309 0.89 KDM4E (0.49) KDM4EALDH1A1HPGDALOX5APFEN1
SCHEMBL2583935 0.86 ALOX5AP (0.38) ALOX5APFEN1PTGER1BRD4HCRTR1
SCHEMBL2581967 0.85 KDM4E (0.38) KDM4EALDH1A1HPGDALOX5APFEN1
SCHEMBL2589905 0.85 BRD4 (0.41) KDM4EALDH1A1HPGDALOX5APFEN1
SCHEMBL2594850 0.84 ALDH1A1 (0.41) KDM4EALDH1A1HPGDALOX5APFEN1
SCHEMBL2593138 0.82 ALDH1A1 (0.50) KDM4EALDH1A1HPGDPDE4DMEN1
SCHEMBL2591462 0.82 KDM4E (0.48) KDM4EALDH1A1HPGDALOX5APFEN1

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 11 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-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

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 KDM4E 1593/4885ALDH1A1 824/4885HPGD 1088/4885

“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.