SCHEMBL15768807

SCHEMBL15768807

O=C(NC(=S)N[C@@]1(c2cc(Br)ccc2F)CO[C@@H](COCc2ccccc2)C[C@H]1CO)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.36
EPHX1 P07099 2/20 0.36
ALDH1A1 P00352 5/20 0.33
ALOX12 P18054 3/20 0.33
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
BACE2 Q9Y5Z0 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MITF O75030 1/20 0.32
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL15798977 1.00 BACE1 (0.36) BACE1EPHX1ALDH1A1ALOX12GLA
SCHEMBL15768842 0.91 BACE1 (0.38) BACE1EPHX1ALDH1A1ALOX12GLA
SCHEMBL15769171 0.88 BACE1 (0.37) BACE1EPHX1ALDH1A1ALOX12GLA
SCHEMBL15366841 0.88 BACE1 (0.46) BACE1EPHX1ALDH1A1ALOX12GLA
SCHEMBL19725863 0.86 BACE1 (0.38) BACE1BACE2LMNA
SCHEMBL22239133 0.85 BACE1 (0.37) BACE1BACE2LMNA
SCHEMBL15769169 0.83 BACE1 (0.40) BACE1EPHX1ALDH1A1ALOX12GLA
SCHEMBL6875774 0.81 EPHX1 (0.40) BACE1EPHX1ALDH1A1ALOX12GLA
SCHEMBL932323 0.81 EPHX1 (0.40) BACE1EPHX1ALDH1A1ALOX12GLA
SCHEMBL6878083 0.81 EPHX1 (0.40) BACE1EPHX1ALDH1A1ALOX12GLA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210355138-A1 AMINOTHIAZINIES AND THEIR USE AS BACE1 INHIBITORS LILLY CO ELI (US) 2021-11-18 US disclosed
US-20210355138-A1 AMINOTHIAZINIES AND THEIR USE AS BACE1 INHIBITORS LILLY CO ELI (US) 2021-11-18 US disclosed
EP-3497105-A1 AMINOTHIAZINES AND THEIR USE AS BACE1 INHIBITORS ELI LILLY AND COMPANY (US) 2019-06-19 EP disclosed
WO-2018031334-A1 AMINOTHIAZINES AND THEIR USE AS BACE1 INHIBITORS ELI LILLY AND COMPANY (US) 2018-02-15 WO disclosed
WO-2018031334-A1 AMINOTHIAZINES AND THEIR USE AS BACE1 INHIBITORS ELI LILLY AND COMPANY (US) 2018-02-15 WO disclosed
US-9198917-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2015-12-01 US disclosed
US-9198917-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2015-12-01 US disclosed
US-9198917-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2015-12-01 US disclosed
EP-2931731-A1 HEXAHYDROPYRANO [3,4-D][1,3]THIAZIN-2-AMINE COMPOUNDS AS INHIBITORS OF BACE1 Pfizer Inc. (US) 2015-10-21 EP disclosed
US-20150231144-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER INC. (US) 2015-08-20 US disclosed
US-20140323474-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER (US) 2014-10-30 US disclosed
US-20140323474-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER (US) 2014-10-30 US disclosed
US-20140323474-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER (US) 2014-10-30 US disclosed
US-8822456-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2014-09-02 US disclosed
US-8822456-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2014-09-02 US disclosed
US-8822456-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2014-09-02 US disclosed
WO-2014091352-A1 HEXAHYDROPYRANO [3,4-D][1,3]THIAZIN-2-AMINE COMPOUNDS AS INHIBITORS OF BACE1 PFIZER INC. (US) 2014-06-19 WO disclosed
US-20140163015-A1 HEXAHYDROPYRANO[3,4-d][1,3]THIAZIN-2-AMINE COMPOUNDS PFIZER INC. (US) 2014-06-12 US disclosed
US-20140163015-A1 HEXAHYDROPYRANO[3,4-d][1,3]THIAZIN-2-AMINE COMPOUNDS PFIZER INC. (US) 2014-06-12 US disclosed
US-20140163015-A1 HEXAHYDROPYRANO[3,4-d][1,3]THIAZIN-2-AMINE COMPOUNDS PFIZER INC. (US) 2014-06-12 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-20140163015-A1 HEXAHYDROPYRANO[3,4-d][1,3]THIAZIN-2-AMINE COMPOUNDS TBXA2R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HTR3D BACE1 2304/4885EPHX1 1679/4885ALDH1A1 490/4885
US-20210355138-A1 AMINOTHIAZINIES AND THEIR USE AS BACE1 INHIBITORS BACE1, BACE2, APP BACE1 1/4885EPHX1 1018/4885ALDH1A1 713/4885
US-20140323474-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds TBXA2R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HTR3D BACE1 2304/4885EPHX1 1679/4885ALDH1A1 490/4885
US-20150231144-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds TBXA2R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HTR3D BACE1 2304/4885EPHX1 1679/4885ALDH1A1 490/4885

“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.