Sugi Predict

Sugi Predict / Compounds / SCHEMBL2591668

SCHEMBL2591668

SCHEMBL2591668

COc1ccc(-c2ccc3c(c2)CNC3=O)c(OCC(C)(C)C(=O)OCC2CCC2)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.36
▸ POLQ O75417 1/20 0.36
▸ PRKCI P41743 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ PRF1 P14222 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ PDE1C Q14123 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ PRKACG P22612 1/20 0.33
▸ PRKACB P22694 1/20 0.33
▸ 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
▸ LRRK2 Q5S007 1/20 0.32
▸ PDE4B Q07343 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
SCHEMBL2589485 0.89 GSK3B (0.38) GSK3BPOLQPRKCIGPR119PRF1
SCHEMBL2584286 0.89 MAPKAPK2 (0.37) GSK3BPOLQPRKCIGPR119PRF1
SCHEMBL2591921 0.89 POLQ (0.39) GSK3BPOLQPRKCIPRF1MAPKAPK2
SCHEMBL2591751 0.88 PRKCI (0.37) GSK3BPOLQPRKCIGPR119PRF1
SCHEMBL2592192 0.87 GSK3B (0.38) GSK3BPOLQPRKCIGPR119PRF1
SCHEMBL2593343 0.87 PRKCI (0.41) GSK3BPOLQPRKCIGPR119PRF1
SCHEMBL14734737 0.86 HSD17B1 (0.42) GPR119PDE1CMEN1KMT2APDE4B
SCHEMBL2591578 0.86 GSK3B (0.38) GSK3BPOLQPRKCIGPR119PRF1
SCHEMBL2584293 0.86 GSK3B (0.38) GSK3BPOLQPRKCIGPR119PRF1
SCHEMBL2592152 0.86 PRKCI (0.36) GSK3BPOLQPRKCIPRF1MAPKAPK2

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 1717/4885PRKCI 676/4885

“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.