SCHEMBL2584463

SCHEMBL2584463

COc1ccc(-c2cccc3c2CCC3=O)c(OC)c1OCc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA2 P00918 10/20 0.39
CA1 P00915 9/20 0.39
CA9 Q16790 8/20 0.39
CA7 P43166 6/20 0.39
CA4 P22748 5/20 0.39
CA12 O43570 7/20 0.38
CA5A P35218 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 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
SCHEMBL2591462 0.96 KDM4E (0.48) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL2592309 0.91 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2PTGS1
SCHEMBL17599643 0.89 KDM4E (0.39) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL2584646 0.89 KDM4E (0.41) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL7706819 0.87 KDM4E (0.37) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL2581967 0.87 KDM4E (0.38) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL2583872 0.87 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2PTGS1
SCHEMBL2589905 0.81 BRD4 (0.41) KDM4EALDH1A1HPGDPTGS1PTGS2
SCHEMBL2594850 0.80 ALDH1A1 (0.41) KDM4EALDH1A1HPGDPTGS1PTGS2
SCHEMBL14736801 0.80 KDM4E (0.41) KDM4EALDH1A1HPGDSMN1; SMN2PTGS1

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 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.