SCHEMBL2117430

SCHEMBL2117430

CC(C)(C)N(C(=O)O)C1=NC2(c3cc(N)ccc3OC(F)(F)F)CCOCC2CS1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.38

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
SCHEMBL2109240 1.00 BACE1 (0.38) BACE1
SCHEMBL2109143 0.88 BACE1 (0.39) BACE1
SCHEMBL2120636 0.88 BACE1 (0.39) BACE1
SCHEMBL2108069 0.88 BACE1 (0.39) BACE1
SCHEMBL2109665 0.88 BACE1 (0.39) BACE1
SCHEMBL1935241 0.87 BACE1 (0.54) BACE1
SCHEMBL1935243 0.87 BACE1 (0.54) BACE1
SCHEMBL3779198 0.82 BACE1 (0.40) BACE1
SCHEMBL3779202 0.82 BACE1 (0.40) BACE1
SCHEMBL8028419 0.82 BACE1 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 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 (1 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-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 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.