Sugi Predict

Sugi Predict / Compounds / SCHEMBL2595119

SCHEMBL2595119

SCHEMBL2595119

CCN(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 2/20 0.45
▸ LPL P06858 6/20 0.44
▸ LIPG Q9Y5X9 6/20 0.44
▸ BACE1 P56817 1/20 0.42
▸ BACE2 Q9Y5Z0 1/20 0.42
▸ F11 P03951 3/20 0.41
▸ F2 P00734 2/20 0.41
▸ PRSS1 P07477 2/20 0.41
▸ PRSS2 P07478 2/20 0.41
▸ PRSS3 P35030 2/20 0.41
▸ USP30 Q70CQ3 2/20 0.41
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ DGAT1 O75907 1/20 0.40
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ P4HB P07237 1/20 0.36

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
SCHEMBL25458763 0.87 AAK1 (0.41) AAK1LPLLIPGBACE1BACE2
SCHEMBL12185974 0.84 BACE1 (0.49) AAK1LPLLIPGBACE1BACE2
SCHEMBL484122 0.83 AAK1 (0.45) AAK1LPLLIPGBACE1BACE2
SCHEMBL1182325 0.82 DGAT1 (0.48) AAK1LPLLIPGBACE1BACE2
SCHEMBL18204544 0.82 BACE1 (0.45) AAK1LPLLIPGBACE1BACE2
SCHEMBL14672713 0.81 LIPG (0.51) LPLLIPGF11F2PRSS1
SCHEMBL1019640 0.81 BACE1 (0.45) AAK1LPLLIPGBACE1BACE2
SCHEMBL23753406 0.80 LIPG (0.47) AAK1LPLLIPGBACE1BACE2
SCHEMBL2592445 0.80 USP30 (0.57) AAK1LPLLIPGBACE1BACE2
SCHEMBL9934311 0.79 CHRM2 (0.42) AAK1LPLLIPGBACE1BACE2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701637-B2 Tau imaging probe GE HEALTHCARE LIMITED (GB) 2017-07-11 — — US disclosed
US-9701637-B2 Tau imaging probe GE HEALTHCARE LIMITED (GB) 2017-07-11 — — US disclosed
US-9452985-B2 Tau imaging probe GE HEALTHCARE LIMITED (GB) 2016-09-27 — — US disclosed
US-9452985-B2 Tau imaging probe GE HEALTHCARE LIMITED (GB) 2016-09-27 — — US disclosed
US-20160271278-A1 TAU IMAGING PROBE GE HEALTHCARE LTD (GB) 2016-09-22 — — US disclosed
US-20160271278-A1 TAU IMAGING PROBE GE HEALTHCARE LTD (GB) 2016-09-22 — — US disclosed
US-9249101-B2 Tau imaging probe CLINO LTD. (JP) 2016-02-02 — — US disclosed
US-9249101-B2 Tau imaging probe CLINO LTD. (JP) 2016-02-02 — — US disclosed
US-20160008494-A1 TAU IMAGING PROBE GE HEALTHCARE LIMITED (GB) 2016-01-14 — — US disclosed
US-20160008494-A1 TAU IMAGING PROBE GE HEALTHCARE LIMITED (GB) 2016-01-14 — — US disclosed
WO-2012057312-A1 TAU IMAGING PROBE クリノ株式会社 (JP) 2012-05-03 — — WO disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 — — 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 (2 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-20160008494-A1 TAU IMAGING PROBE MAPT, APP, APBA1 AAK1 2331/4885LPL 4827/4885LIPG 4793/4885
US-20160271278-A1 TAU IMAGING PROBE MAPT, APP, APBA1 AAK1 2331/4885LPL 4827/4885LIPG 4793/4885

“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.