SCHEMBL13306293

SCHEMBL13306293

CCCOc1cc(N)cc(C2(C)CCSC(NC(=O)OC(C)(C)C)=N2)c1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.42

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
SCHEMBL10154551 0.84 BACE1 (0.40) BACE1
SCHEMBL10154568 0.84 BACE1 (0.39) BACE1
SCHEMBL14980730 0.83 BACE1 (0.37) BACE1
SCHEMBL10154482 0.83 BACE1 (0.47) BACE1
SCHEMBL17635530 0.83 BACE1 (0.37) BACE1
SCHEMBL13306292 0.82 BACE1 (0.59) BACE1
SCHEMBL4074208 0.80 BACE1 (0.48) BACE1
SCHEMBL4078345 0.80 BACE1 (0.38) BACE1
SCHEMBL10154545 0.80 BACE1 (0.48) BACE1
SCHEMBL4078989 0.73 BACE1 (0.52) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653067-B2 Pharmaceutical composition for treating Alzheimer's disease SHIONOGI & CO., LTD. (JP) 2014-02-18 US disclosed
US-20100160290-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE SHIONOGI & CO., LTD. (JP) 2010-06-24 US disclosed
US-20090082560-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2009-03-26 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-20100160290-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE NR1H2, NR1H3, NR0B1 BACE1 14/4885
US-20090082560-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP BACE1 1/4885

“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.