Sugi Predict

Sugi Predict / Compounds / SCHEMBL2583911

SCHEMBL2583911

SCHEMBL2583911

COc1ccc(-c2cccc3c2CNC3=O)c(OCC2(C(=O)OCC(C)C)CC2)c1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.34
▸ PDE4D Q08499 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ ROCK1 Q13464 3/20 0.33
▸ CLK4 Q9HAZ1 2/20 0.33
▸ PLK4 O00444 2/20 0.33
▸ ROCK2 O75116 2/20 0.33
▸ NTRK1 P04629 2/20 0.33
▸ MET P08581 2/20 0.33
▸ ROS1 P08922 2/20 0.33
▸ RPS6KB1 P23443 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
SCHEMBL2588342 0.97 KDR (0.33) KDRPDE4DPIK3CDPIK3CAPIK3CB
SCHEMBL2593067 0.90 L3MBTL1 (0.39) KDRHDAC4HDAC2HDAC8ROCK1
SCHEMBL2592034 0.89 KDR (0.35) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2584260 0.89 KDR (0.39) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2584712 0.89 KDR (0.34) KDRPDE4DPIK3CDPIK3CAPIK3CB
SCHEMBL2587683 0.88 KDR (0.34) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14736445 0.87 PDE4D (0.34) KDRPDE4DPIK3CDPIK3CAPIK3CB
SCHEMBL14737839 0.87 PDE4D (0.34) KDRPDE4DPIK3CDPIK3CAPIK3CB
SCHEMBL2592146 0.87 L3MBTL1 (0.38) KDRHDAC4HDAC2HDAC8ROCK1
SCHEMBL2593409 0.86 KDR (0.33) KDRPIK3CDPIK3CAPIK3CBPIK3CG

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 KDR 1971/4885PDE4D 10/4885PIK3CD 1119/4885

“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.