Sugi Predict

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SCHEMBL2086235

SCHEMBL2086235

COc1ccc(C2(c3ccc(OS(=O)(=O)C(F)(F)F)c(-c4cccc(OC)c4)c3)N=C(NC(=O)OC(C)(C)C)c3ccccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 4/20 0.38
▸ HSP90AB1 P08238 4/20 0.38
▸ BACE1 P56817 9/20 0.36
▸ NAMPT P43490 2/20 0.33
▸ IDH2 P48735 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ CTSD P07339 2/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.32
▸ CTSE P14091 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL2085194 0.85 HSP90AA1 (0.36) HSP90AA1HSP90AB1BACE1NAMPTJAK2
SCHEMBL3552608 0.83 BACE1 (0.45) BACE1CTSDBACE2
Trifluoroacetic Acid SCHEMBL2085766 0.82 BACE1 (0.42) HSP90AA1HSP90AB1BACE1CTSDBACE2
SCHEMBL2086590 0.77 NPC1 (0.37) HSP90AA1HSP90AB1BACE1PDK2CTSD
SCHEMBL2086227 0.75 DHFR (0.34) HSP90AA1BACE1PDK2CTSDCTSE
SCHEMBL2086137 0.73 PDK2 (0.34) HSP90AA1HSP90AB1BACE1PDK2
SCHEMBL2085929 0.72 BACE1 (0.42) BACE1PDK2CTSDBACE2
SCHEMBL2087792 0.72 BACE1 (0.43) HSP90AA1HSP90AB1BACE1CTSDBACE2
SCHEMBL2084763 0.71 MIF (0.37) HSP90AA1HSP90AB1BACE1NAMPTPDK2
SCHEMBL4523843 0.71 BACE1 (0.69) BACE1CTSDBACE2

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-20110059992-A1 New Compounds ASTRAZENECA AB (SE) 2011-03-10 — — US disclosed
US-20110059992-A1 New Compounds ASTRAZENECA AB (SE) 2011-03-10 — — US disclosed
US-20110059992-A1 New Compounds ASTRAZENECA AB (SE) 2011-03-10 — — US disclosed
US-7855213-B2 Compounds ASTRAZENECA AB (SE) 2010-12-21 — — US disclosed
US-7855213-B2 Compounds ASTRAZENECA AB (SE) 2010-12-21 — — US disclosed
US-7855213-B2 Compounds ASTRAZENECA AB (SE) 2010-12-21 — — US disclosed
EP-2035378-A1 SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE AstraZeneca AB (SE) 2009-03-18 — — EP disclosed
US-20080171771-A1 New Compounds 391 ASTRAZENECA AB (SE) 2008-07-17 — — US disclosed
US-20080171771-A1 New Compounds 391 ASTRAZENECA AB (SE) 2008-07-17 — — US disclosed
US-20080171771-A1 New Compounds 391 ASTRAZENECA AB (SE) 2008-07-17 — — US disclosed
WO-2007149033-A1 SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2007-12-27 — — WO disclosed
WO-2007149033-A1 SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2007-12-27 — — 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-20110059992-A1 New Compounds MAPT, PSEN2, PSEN1 HSP90AA1 2918/4885HSP90AB1 1996/4885BACE1 5/4885
US-20080171771-A1 New Compounds 391 PSEN2, PSEN1, MAPT HSP90AA1 2472/4885HSP90AB1 1494/4885BACE1 4/4885

“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.