Sugi Predict

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SCHEMBL2086227

SCHEMBL2086227

COc1ccc(C2(c3ccc(O)c(Br)c3)N=C(NC(=O)OC(C)(C)C)c3ccccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 2/20 0.34
▸ TYMS P04818 1/20 0.34
▸ PDK2 Q15119 2/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ BACE1 P56817 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CTSD P07339 1/20 0.33
▸ CTSE P14091 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ MMP8 P22894 2/20 0.32

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
SCHEMBL2086590 0.88 NPC1 (0.37) PDK2KMT2AMAPTBACE1GAA
SCHEMBL2085194 0.86 HSP90AA1 (0.36) KMT2AMAPTBACE1GAAMEN1
SCHEMBL2084763 0.81 MIF (0.37) TYMSPDK2KMT2AMAPTBACE1
SCHEMBL2085499 0.80 BACE1 (0.36) PDK2BACE1RAF1HSP90AA1
SCHEMBL2086845 0.79 PDK2 (0.35) PDK2BACE1CTSDRAF1HSP90AA1
SCHEMBL8229147 0.77 BACE1 (0.42) DHFRTYMSKMT2AMAPTBACE1
Trifluoroacetic Acid SCHEMBL2086276 0.76 BACE1 (0.39) DHFRTYMSPDK2KMT2AMAPT
SCHEMBL2086235 0.75 HSP90AA1 (0.38) PDK2MAPTBACE1CTSDCTSE
SCHEMBL2086277 0.66 BACE1 (0.39) PDK2BACE1CTSD
SCHEMBL2085929 0.66 BACE1 (0.42) PDK2BACE1CTSD

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 DHFR 3261/4885TYMS 4177/4885PDK2 2938/4885
US-20080171771-A1 New Compounds 391 PSEN2, PSEN1, MAPT DHFR 2970/4885TYMS 3820/4885PDK2 2812/4885

“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.