SCHEMBL2085133

SCHEMBL2085133

COc1cc(OS(=O)(=O)COC(=O)C(F)(F)F)cc(-c2cccc(C3(c4ccc5c(c4)OCCO5)N=C(N)c4ccccc43)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.37
KCNH2 Q12809 4/20 0.37
CTSD P07339 4/20 0.36
BACE2 Q9Y5Z0 3/20 0.36
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
DHFR P00374 1/20 0.31
ALDH1A1 P00352 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
Trifluoroacetic Acid SCHEMBL2085131 0.88 BACE1 (0.39) BACE1KCNH2CTSDBACE2MAPT
SCHEMBL3549986 0.85 BACE1 (0.42) BACE1KCNH2CTSDBACE2
Trifluoroacetic Acid SCHEMBL5038271 0.85 BACE1 (0.38) BACE1KCNH2CTSDBACE2MAPT
Trifluoroacetic Acid SCHEMBL2083989 0.84 BACE1 (0.39) BACE1KCNH2CTSDBACE2
Trifluoroacetic Acid SCHEMBL2085061 0.84 BACE1 (0.43) BACE1KCNH2CTSDBACE2MAPT
SCHEMBL3552330 0.81 BACE1 (0.42) BACE1KCNH2CTSDBACE2MAPT
Trifluoroacetic Acid SCHEMBL2085705 0.81 BACE1 (0.45) BACE1KCNH2CTSDBACE2
SCHEMBL3554052 0.80 BACE1 (0.48) BACE1KCNH2CTSDBACE2
Trifluoroacetic Acid SCHEMBL2084782 0.79 BACE1 (0.42) BACE1KCNH2CTSDBACE2
SCHEMBL3549694 0.79 BACE1 (0.42) BACE1KCNH2CTSDBACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059992-A1 New Compounds ASTRAZENECA AB (SE) 2011-03-10 US claimed
US-20080171771-A1 New Compounds 391 ASTRAZENECA AB (SE) 2008-07-17 US claimed
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-20080171771-A1 New Compounds 391 ASTRAZENECA AB (SE) 2008-07-17 US 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 BACE1 5/4885KCNH2 3126/4885CTSD 1916/4885
US-20080171771-A1 New Compounds 391 PSEN2, PSEN1, MAPT BACE1 4/4885KCNH2 2710/4885CTSD 1715/4885

“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.