SCHEMBL3544397

SCHEMBL3544397

COc1cc(OS(C)(=O)=O)cc(-c2cccc(C3(c4ccc(OC)c(C)c4)N=C(N)c4ccccc43)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.44
CTSD P07339 4/20 0.43
BACE2 Q9Y5Z0 4/20 0.43
REN P00797 2/20 0.43
KCNH2 Q12809 5/20 0.43

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
SCHEMBL8225143 0.93 BACE1 (0.42) BACE1CTSDBACE2RENKCNH2
Trifluoroacetic Acid SCHEMBL2085905 0.93 BACE1 (0.41) BACE1CTSDBACE2RENKCNH2
SCHEMBL3547201 0.90 BACE1 (0.49) BACE1CTSDBACE2KCNH2
SCHEMBL3555713 0.90 BACE1 (0.49) BACE1CTSDBACE2KCNH2
SCHEMBL3555510 0.87 BACE1 (0.50) BACE1CTSDBACE2RENKCNH2
SCHEMBL3551247 0.85 BACE1 (0.50) BACE1CTSDBACE2KCNH2
SCHEMBL3552330 0.84 BACE1 (0.42) BACE1CTSDBACE2KCNH2
SCHEMBL3549986 0.84 BACE1 (0.42) BACE1CTSDBACE2KCNH2
Trifluoroacetic Acid SCHEMBL2085701 0.83 BACE1 (0.45) BACE1CTSDBACE2KCNH2
Trifluoroacetic Acid SCHEMBL2085042 0.83 BACE1 (0.46) BACE1CTSDBACE2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855213-B2 Compounds ASTRAZENECA AB (SE) 2010-12-21 US claimed
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-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

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 5/4885CTSD 1916/4885BACE2 18/4885
US-20080171771-A1 New Compounds 391 PSEN2, PSEN1, MAPT BACE1 4/4885CTSD 1715/4885BACE2 15/4885

“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.