SCHEMBL11024052

SCHEMBL11024052

NC1=N[C@@]2(c3cc([N+](=O)[O-])cc(F)c3F)CO[C@H](C(F)(F)F)[C@H]2CS1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.48
BACE2 Q9Y5Z0 15/20 0.48
CTSD P07339 2/20 0.45
KCNH2 Q12809 1/20 0.37

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
SCHEMBL11938695 0.91 BACE1 (0.46) BACE1BACE2CTSD
SCHEMBL11025468 0.89 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL15835728 0.88 BACE1 (0.48) BACE1BACE2CTSDKCNH2
Hydrochloric Acid SCHEMBL11025691 0.88 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL11886512 0.85 BACE1 (0.45) BACE1BACE2CTSDKCNH2
SCHEMBL15817729 0.85 BACE1 (0.46) BACE1BACE2CTSDKCNH2
SCHEMBL11888108 0.85 BACE1 (0.45) BACE1BACE2CTSDKCNH2
SCHEMBL18598025 0.85 BACE1 (0.45) BACE1BACE2CTSDKCNH2
SCHEMBL15150094 0.85 BACE1 (0.45) BACE1BACE2CTSDKCNH2
SCHEMBL11027450 0.84 BACE1 (0.37) BACE1BACE2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665732-B1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS EISAI R&D MAN CO LTD (JP) 2016-03-30 EP disclosed
US-8940734-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-01-27 US disclosed
US-8940734-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-01-27 US disclosed
US-8940734-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-01-27 US disclosed
US-20140142091-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-05-22 US disclosed
US-20140142091-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-05-22 US disclosed
US-20140142091-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-05-22 US disclosed
US-8592408-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-11-26 US disclosed
US-20130203740-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-08 US disclosed
US-20130203740-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-08 US disclosed
US-8338407-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-12-25 US disclosed
US-8338407-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-12-25 US disclosed
US-8338407-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-12-25 US disclosed
US-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 US disclosed
US-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 US disclosed
US-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 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 (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-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885CTSD 469/4885
US-20140142091-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885CTSD 469/4885
US-20130203740-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885CTSD 469/4885

“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.