Sugi Predict

Sugi Predict / Compounds / SCHEMBL2588932

SCHEMBL2588932

SCHEMBL2588932

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.36
▸ HDAC4 P56524 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ 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
▸ EPHA2 P29317 2/20 0.33
▸ AXL P30530 2/20 0.33
▸ FLT4 P35916 2/20 0.33
▸ FLT3 P36888 2/20 0.33
▸ FRK P42685 2/20 0.33
▸ ROCK1 Q13464 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
SCHEMBL14737419 0.90 KDR (0.36) KDRHDAC4HDAC2HDAC8PIK3CD
SCHEMBL2585910 0.90 KDR (0.37) KDRHDAC4HDAC2HDAC8PLK4
SCHEMBL2592157 0.89 KDR (0.35) KDRHDAC4HDAC2HDAC8PIK3CD
SCHEMBL2588227 0.89 KDR (0.39) KDRHDAC4HDAC2HDAC8PIK3CD
SCHEMBL2589015 0.88 KDR (0.35) KDRHDAC4HDAC2HDAC8PIK3CD
SCHEMBL14737628 0.88 KDR (0.38) KDRHDAC4HDAC2HDAC8PIK3CD
SCHEMBL14737132 0.87 KDR (0.34) KDRHDAC4HDAC2HDAC8PIK3CD
SCHEMBL14737270 0.87 KDR (0.34) KDRHDAC4HDAC2HDAC8PIK3CD
SCHEMBL2583998 0.87 KDR (0.34) KDRHDAC4HDAC2HDAC8PIK3CD
SCHEMBL2584767 0.86 KDR (0.34) KDRHDAC4HDAC2HDAC8PIK3CD

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 1971/4885HDAC4 105/4885HDAC2 77/4885

“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.