Sugi Predict

Sugi Predict / Compounds / SCHEMBL2584400

SCHEMBL2584400

SCHEMBL2584400

COc1ccc(-c2cccc3c2CNC3=O)c(OC(C)(C)C(=O)OC2CCCC2)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.37
▸ TP53 P04637 1/20 0.36
▸ HDAC4 P56524 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ PLK4 O00444 2/20 0.34
▸ ROCK2 O75116 2/20 0.34
▸ NTRK1 P04629 2/20 0.34
▸ MET P08581 2/20 0.34
▸ ROS1 P08922 2/20 0.34
▸ RPS6KB1 P23443 2/20 0.34
▸ EPHA2 P29317 2/20 0.34
▸ AXL P30530 2/20 0.34
▸ FLT4 P35916 2/20 0.34
▸ FLT3 P36888 2/20 0.34
▸ FRK P42685 2/20 0.34
▸ ROCK1 Q13464 2/20 0.34
▸ NTRK2 Q16620 2/20 0.34
▸ TAOK1 Q7L7X3 2/20 0.34
▸ HIPK4 Q8NE63 2/20 0.34

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
SCHEMBL14737232 0.98 KDR (0.37) KDRTP53HDAC4HDAC2HDAC8
SCHEMBL2589680 0.87 KDR (0.41) KDRHDAC4HDAC2HDAC8PLK4
SCHEMBL2594434 0.87 KDR (0.36) KDRTP53HDAC4HDAC2HDAC8
SCHEMBL2592582 0.86 TP53 (0.37) KDRTP53HDAC4HDAC2HDAC8
SCHEMBL2592134 0.86 TP53 (0.37) KDRTP53HDAC4HDAC2HDAC8
SCHEMBL2592846 0.86 PIK3CD (0.35) KDRHDAC4HDAC2HDAC8PLK4
SCHEMBL14737004 0.86 KDR (0.36) KDRHDAC4HDAC2HDAC8PLK4
SCHEMBL2590917 0.85 KDR (0.36) KDRTP53HDAC4HDAC2HDAC8
SCHEMBL14737559 0.85 KDM4E (0.46) TP53HDAC4HDAC2HDAC8CYP19A1
SCHEMBL2588605 0.85 KDR (0.38) KDRHDAC4HDAC2HDAC8PLK4

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 1971/4885TP53 4592/4885HDAC4 105/4885

“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.