SCHEMBL1934779

SCHEMBL1934779

C=CC[C@H](COCc1ccccc1)OCC=NO

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 4/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.36
TACR1 P25103 2/20 0.35
TEAD3 Q99594 1/20 0.35
SLC1A1 P43005 1/20 0.35
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
FOLH1 Q04609 1/20 0.34

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
SCHEMBL1934778 1.00 TDP1 (0.40) TDP1CA1CA2CA7CA9
SCHEMBL2622832 0.90 CA1 (0.42) TDP1CA1CA2CA7CA9
SCHEMBL2109381 0.90 CA1 (0.42) TDP1CA1CA2CA7CA9
SCHEMBL2109384 0.90 CA1 (0.42) TDP1CA1CA2CA7CA9
SCHEMBL2109388 0.90 CA1 (0.42) TDP1CA1CA2CA7CA9
SCHEMBL16433656 0.90 CA1 (0.42) TDP1CA1CA2CA7CA9
SCHEMBL14739550 0.86 CA1 (0.45) TDP1CA1CA2CA7CA9
SCHEMBL15366798 0.85 HTT (0.44) CA1CA2CA7CA9HTT
SCHEMBL15366799 0.85 HTT (0.44) CA1CA2CA7CA9HTT
SCHEMBL15938768 0.85 HTT (0.44) CA1CA2CA7CA9HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2956458-B1 HETEROARYL-SUBSTITUTED HEXAHYDROPYRANO[3,4-D][1,3]THIAZIN-2-AMINE COMPOUNDS PFIZER (US) 2017-08-09 EP disclosed
EP-2956459-B1 SUBSTITUTED PHENYL-HEXAHYDROPYRANO[3,4-D][1,3]THIAZIN-2-AMINE COMPOUNDS PFIZER (US) 2017-07-19 EP disclosed
US-9550795-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2017-01-24 US disclosed
US-9550795-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2017-01-24 US disclosed
EP-2751116-B1 HEXAHYDROPYRANO [3,4-D][1,3]THIAZIN-2-AMINE COMPOUNDS PFIZER (US) 2016-10-12 EP disclosed
US-9403846-B2 Carbocyclic- and heterocyclic-substituted hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2016-08-02 US disclosed
US-9403846-B2 Carbocyclic- and heterocyclic-substituted hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2016-08-02 US disclosed
US-9403846-B2 Carbocyclic- and heterocyclic-substituted hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2016-08-02 US disclosed
EP-2852597-B1 HETEROCYCLIC SUBSTITUTED HEXAHYDROPYRANO [3,4-D][1,3]THIAZIN-2-AMINE COMPOUNDS AS INHIBITORS OF APP, BACE1 AND BACE 2. PFIZER (US) 2016-06-08 EP disclosed
US-9260455-B2 Alkyl-substituted hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2016-02-16 US disclosed
US-20130296308-A1 Heterocyclic Substituted Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER INC. (US) 2013-11-07 US disclosed
US-20130296308-A1 Heterocyclic Substituted Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER INC. (US) 2013-11-07 US disclosed
US-20130053373-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds BRODNEY MICHAEL AARON (US) 2013-02-28 US disclosed
US-20130053373-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds BRODNEY MICHAEL AARON (US) 2013-02-28 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
EP-2332943-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2011-06-15 EP 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 (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-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, BACE2, APP TDP1 1386/4885CA1 866/4885CA2 2251/4885
US-20130296308-A1 Heterocyclic Substituted Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds TPMT, DPYD, UGT1A3 TDP1 419/4885CA1 3038/4885CA2 2618/4885
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 TDP1 2865/4885CA1 591/4885CA2 1748/4885
US-20130053373-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds DPYD, TPMT, QDPR TDP1 532/4885CA1 3438/4885CA2 2323/4885

“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.