SCHEMBL3779202

SCHEMBL3779202

Nc1ccc(OC(F)(F)F)c([C@]23CCOC[C@H]2CSC(NC(=O)O)=N3)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.40
BACE2 Q9Y5Z0 3/20 0.34
EPHX2 P34913 2/20 0.31
WNT3A P56704 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL3779198 1.00 BACE1 (0.40) BACE1BACE2EPHX2WNT3AKCNH2
SCHEMBL2619979 0.89 BACE1 (0.38) BACE1BACE2KCNH2
SCHEMBL3298246 0.86 BACE1 (0.57) BACE1BACE2EPHX2WNT3AKCNH2
SCHEMBL16649356 0.86 BACE1 (0.57) BACE1BACE2EPHX2WNT3AKCNH2
SCHEMBL2935922 0.86 BACE1 (0.45) BACE1BACE2KCNH2
SCHEMBL2933321 0.86 BACE1 (0.45) BACE1BACE2KCNH2
SCHEMBL18192843 0.86 BACE1 (0.45) BACE1BACE2KCNH2
SCHEMBL2932512 0.86 BACE1 (0.45) BACE1BACE2KCNH2
SCHEMBL2932513 0.86 BACE1 (0.45) BACE1BACE2KCNH2
SCHEMBL8028419 0.84 BACE1 (0.55) BACE1BACE2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946210-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-08 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 (3 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-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885EPHX2 860/4885
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885EPHX2 860/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885EPHX2 2378/4885

“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.