Sugi Predict

Sugi Predict / Compounds / SCHEMBL3302746

SCHEMBL3302746

SCHEMBL3302746

NC1=N[C@@]2(c3cc(NC(=O)c4ccc(OC(F)F)cn4)ccc3F)CO[C@@H](C(F)(F)F)C[C@H]2CS1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 18/20 1.00
▸ KCNH2 Q12809 6/20 0.83
▸ CYP2D6 P10635 2/20 0.83
▸ BACE2 Q9Y5Z0 4/20 0.59

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
SCHEMBL3302743 1.00 BACE1 (1.00) BACE1KCNH2CYP2D6BACE2
SCHEMBL3306878 0.91 BACE1 (0.83) BACE1KCNH2CYP2D6BACE2
SCHEMBL3306874 0.91 BACE1 (0.83) BACE1KCNH2CYP2D6BACE2
SCHEMBL3305138 0.91 BACE1 (0.83) BACE1KCNH2CYP2D6BACE2
SCHEMBL3305132 0.91 BACE1 (0.83) BACE1KCNH2CYP2D6BACE2
SCHEMBL17169910 0.91 BACE1 (1.00) BACE1KCNH2CYP2D6BACE2
SCHEMBL3302952 0.89 BACE1 (0.80) BACE1KCNH2CYP2D6BACE2
SCHEMBL9913275 0.89 BACE1 (0.80) BACE1KCNH2CYP2D6BACE2
SCHEMBL19506948 0.89 BACE1 (0.80) BACE1KCNH2CYP2D6BACE2
SCHEMBL3302956 0.89 BACE1 (0.80) 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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332943-B1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-04-22 — — EP claimed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 — — US claimed
US-10028962-B2 2-amino-6-methy1-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl-1,3-thiazol-4-yl amides PFIZER INC. (US) 2018-07-24 — — US disclosed
US-10028962-B2 2-amino-6-methy1-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl-1,3-thiazol-4-yl amides PFIZER INC. (US) 2018-07-24 — — US disclosed
US-20170304312-A1 2-Amino-6-Methyl-4,4a,5,6-Tetrahydropyrano[3,4-d][1,3]Thiazin-8a(8H)-yl-1,3-Thiazol-4-yl Amides PFIZER INC. (US) 2017-10-26 — — US disclosed
US-20170304312-A1 2-Amino-6-Methyl-4,4a,5,6-Tetrahydropyrano[3,4-d][1,3]Thiazin-8a(8H)-yl-1,3-Thiazol-4-yl Amides PFIZER INC. (US) 2017-10-26 — — US disclosed
US-9744173-B2 2-amino 6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl-1,3-thiazol-4-yl amides PFIZER INC. (US) 2017-08-29 — — US disclosed
US-9744173-B2 2-amino 6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl-1,3-thiazol-4-yl amides PFIZER INC. (US) 2017-08-29 — — US disclosed
US-20170151252-A1 2-Amino-6-Methyl-4,4a,5,6-Tetrahydropyrano[3,4-d][1,3]Thiazin-8a(8H)-yl-1,3-Thiazol-4-yl Amides PFIZER INC. (US) 2017-06-01 — — US disclosed
US-20170151252-A1 2-Amino-6-Methyl-4,4a,5,6-Tetrahydropyrano[3,4-d][1,3]Thiazin-8a(8H)-yl-1,3-Thiazol-4-yl Amides PFIZER INC. (US) 2017-06-01 — — US disclosed
US-9605007-B2 2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl-1,3-thiazol-4-yl amides PFIZER INC. (US) 2017-03-28 — — US disclosed
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-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 (5 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-10028962-B2 2-amino-6-methy1-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl-1,3-thiazol-4-yl amides TPMT, TH, MAT1A BACE1 2035/4885KCNH2 1728/4885CYP2D6 26/4885
US-20170304312-A1 2-Amino-6-Methyl-4,4a,5,6-Tetrahydropyrano[3,4-d][1,3]Thiazin-8a(8H)-yl-1,3-Thiazol-4-yl Amides TPMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UGT1A8 BACE1 1452/4885KCNH2 1842/4885CYP2D6 9/4885
US-20170151252-A1 2-Amino-6-Methyl-4,4a,5,6-Tetrahydropyrano[3,4-d][1,3]Thiazin-8a(8H)-yl-1,3-Thiazol-4-yl Amides TPMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UGT1A8 BACE1 1452/4885KCNH2 1842/4885CYP2D6 9/4885
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.