Sugi Predict

Sugi Predict / Compounds / SCHEMBL2591661

SCHEMBL2591661

SCHEMBL2591661

CCOc1c(OC)ccc(-c2ccc3c(c2)CNC3=O)c1OCC(=O)OCC1CCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.37
▸ POLQ O75417 1/20 0.36
▸ PRF1 P14222 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ PDE1C Q14123 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ DAPK3 O43293 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ PDE4B Q07343 2/20 0.33

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
SCHEMBL14734758 0.97 POLQ (0.39) GSK3BPOLQPRF1MAPKAPK2DAPK3
SCHEMBL2588354 0.94 GSK3B (0.39) GSK3BPOLQPRF1MAPKAPK2PDE1C
SCHEMBL2592264 0.90 POLQ (0.41) GSK3BPOLQPRF1MAPKAPK2DAPK3
SCHEMBL17613986 0.90 GSK3B (0.38) GSK3BPOLQPRF1MAPKAPK2DAPK3
SCHEMBL2588425 0.89 POLQ (0.40) GSK3BPOLQPRF1MAPKAPK2KMT2A
SCHEMBL2593800 0.89 GSK3B (0.39) GSK3BPOLQPRF1MAPKAPK2DAPK3
SCHEMBL14737996 0.87 MAPT (0.40) GSK3BPOLQPRF1MAPKAPK2DAPK3
SCHEMBL2591419 0.87 HSD17B1 (0.43) PDE1CMEN1KMT2AESR1PDE3B
SCHEMBL14734708 0.87 POLQ (0.37) GSK3BPOLQPRF1MAPKAPK2KMT2A
SCHEMBL2592541 0.86 POLQ (0.41) GSK3BPOLQPRF1MAPKAPK2DAPK3

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 9 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 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 GSK3B 350/4885POLQ 1717/4885PRF1 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.