SCHEMBL2631663

SCHEMBL2631663

C[Si](C)(C)c1ccc(F)c([C@]23CCC[C@H]2CSC(N)=N3)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.56
BACE2 Q9Y5Z0 2/20 0.56
CTSD P07339 1/20 0.43
KCNH2 Q12809 1/20 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
SCHEMBL2623055 0.86 BACE1 (0.60) BACE1BACE2CTSD
SCHEMBL3767196 0.84 BACE1 (0.58) BACE1BACE2CTSD
SCHEMBL13177497 0.84 BACE1 (0.58) BACE1BACE2CTSD
SCHEMBL2620006 0.84 BACE1 (0.58) BACE1BACE2CTSD
SCHEMBL8032243 0.82 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL2932528 0.82 BACE1 (0.52) BACE1BACE2CTSDKCNH2
SCHEMBL2620092 0.82 BACE1 (0.52) BACE1BACE2CTSDKCNH2
SCHEMBL2620093 0.81 BACE1 (0.55) BACE1BACE2
SCHEMBL2931404 0.81 BACE1 (0.55) BACE1BACE2
SCHEMBL16418318 0.81 BACE1 (0.68) BACE1BACE2

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-8158620-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 US disclosed
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 US disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 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-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885CTSD 528/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885CTSD 380/4885

“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.