SCHEMBL2619936

SCHEMBL2619936

CCCCO[C@H]1C[C@H]2CSC(NC(=O)OC(C)(C)C)=N[C@@]2(c2cc(N)ccc2F)C1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.36
KCNH2 Q12809 3/20 0.36
CYP2D6 P10635 2/20 0.36
BACE2 Q9Y5Z0 4/20 0.33
CTSD P07339 2/20 0.33

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
SCHEMBL2619935 1.00 BACE1 (0.36) BACE1KCNH2CYP2D6BACE2CTSD
SCHEMBL8023139 1.00 BACE1 (0.36) BACE1KCNH2CYP2D6BACE2CTSD
SCHEMBL2619929 0.93 BACE1 (0.36) BACE1KCNH2CYP2D6BACE2CTSD
SCHEMBL2619930 0.93 BACE1 (0.36) BACE1KCNH2CYP2D6BACE2CTSD
SCHEMBL2619924 0.93 BACE1 (0.36) BACE1KCNH2CYP2D6BACE2CTSD
SCHEMBL3772323 0.90 BACE1 (0.38) BACE1KCNH2CYP2D6BACE2CTSD
SCHEMBL4363037 0.90 BACE1 (0.38) BACE1KCNH2CYP2D6BACE2CTSD
SCHEMBL4363040 0.90 BACE1 (0.38) BACE1KCNH2CYP2D6BACE2CTSD
SCHEMBL8028459 0.88 BACE1 (0.36) BACE1KCNH2CYP2D6BACE2CTSD
SCHEMBL8031653 0.88 BACE1 (0.36) BACE1KCNH2CYP2D6BACE2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233474-B1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-08-05 EP disclosed
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-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
WO-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 WO 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 1/4885KCNH2 2010/4885CYP2D6 1422/4885
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885KCNH2 2010/4885CYP2D6 1422/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885KCNH2 2256/4885CYP2D6 2480/4885

“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.