SCHEMBL2620009

SCHEMBL2620009

C[C@H]1OCC[C@]2(c3ccccc3F)N=C(NC(=O)c3ccccc3)SC[C@H]12

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.45
KCNH2 Q12809 3/20 0.41
BACE2 Q9Y5Z0 2/20 0.36
CTSD P07339 1/20 0.36

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
SCHEMBL11888094 0.90 BACE1 (0.50) BACE1KCNH2BACE2
SCHEMBL2926633 0.90 BACE1 (0.50) BACE1KCNH2BACE2
SCHEMBL2632312 0.90 BACE1 (0.50) BACE1KCNH2BACE2
SCHEMBL2631627 0.90 BACE1 (0.50) BACE1KCNH2BACE2
SCHEMBL15835725 0.84 BACE1 (0.48) BACE1KCNH2BACE2
SCHEMBL2632346 0.82 BACE1 (0.39) BACE1KCNH2BACE2CTSD
SCHEMBL15986234 0.81 BACE1 (0.47) BACE1KCNH2BACE2CTSD
SCHEMBL15986232 0.81 BACE1 (0.47) BACE1KCNH2BACE2CTSD
SCHEMBL2111392 0.81 BACE1 (0.39) BACE1KCNH2BACE2CTSD
SCHEMBL7926969 0.81 BACE1 (0.45) BACE1KCNH2BACE2CTSD

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 9 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-8946211-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-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-8158620-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 US disclosed
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
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 (4 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 1/4885KCNH2 2010/4885BACE2 3/4885
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885KCNH2 2010/4885BACE2 3/4885
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885KCNH2 2010/4885BACE2 3/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885KCNH2 2256/4885BACE2 3/4885

“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.