SCHEMBL3300713

SCHEMBL3300713

COC[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CO1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.79
KCNH2 Q12809 3/20 0.79
CYP2D6 P10635 2/20 0.66
BACE2 Q9Y5Z0 6/20 0.62

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
SCHEMBL3300708 1.00 BACE1 (0.79) BACE1KCNH2CYP2D6BACE2
SCHEMBL16664361 0.91 BACE1 (0.82) BACE1KCNH2CYP2D6BACE2
SCHEMBL1935680 0.91 BACE1 (0.82) BACE1KCNH2CYP2D6BACE2
SCHEMBL16649390 0.91 BACE1 (0.68) BACE1KCNH2CYP2D6BACE2
SCHEMBL9888405 0.91 BACE1 (0.68) BACE1KCNH2CYP2D6BACE2
SCHEMBL7922799 0.91 BACE1 (0.65) BACE1KCNH2CYP2D6BACE2
SCHEMBL1933573 0.91 BACE1 (0.81) BACE1KCNH2CYP2D6BACE2
SCHEMBL3301697 0.89 BACE1 (0.68) BACE1KCNH2CYP2D6BACE2
SCHEMBL3301702 0.89 BACE1 (0.68) BACE1KCNH2CYP2D6BACE2
SCHEMBL9888432 0.89 BACE1 (0.71) BACE1KCNH2CYP2D6BACE2

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-8198269-B2 Fused aminodihydrothiazine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-12 US claimed
EP-2332943-B1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-04-22 EP disclosed
US-8198269-B2 Fused aminodihydrothiazine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-12 US disclosed
US-8198269-B2 Fused aminodihydrothiazine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-12 US disclosed
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-25 US disclosed
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-25 US disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 US disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 US disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 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-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, BACE2, APP BACE1 1/4885KCNH2 1984/4885CYP2D6 1117/4885
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885KCNH2 2173/4885CYP2D6 814/4885

“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.