SCHEMBL4078671

SCHEMBL4078671

CC(C)(C)OC(=O)NC1=N[C@](C)(c2cc([N+](=O)[O-])ccc2F)C(C)(C)CS1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BACE2 Q9Y5Z0 4/20 0.37
BACE1 P56817 4/20 0.37
DRD2 P14416 1/20 0.36
MAPT P10636 3/20 0.36
ALOX5 P09917 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSD P07339 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
KMT2A Q03164 1/20 0.35
WDR5 P61964 2/20 0.34
GNRHR P30968 1/20 0.34
BCL2 P10415 1/20 0.34
BECN1 Q14457 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
SCHEMBL4077684 0.85 BACE1 (0.38) BACE2BACE1CTSD
SCHEMBL4082830 0.83 BACE1 (0.43) BACE2BACE1
SCHEMBL4083233 0.82 WDR5 (0.43) GAAMAPTNPC1RAB9AKMT2A
SCHEMBL13177578 0.82 BACE1 (0.40) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL10295532 0.81 BACE1 (0.39) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL6525182 0.80 ALDH1A1 (0.40) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL14554864 0.80 BACE1 (0.42) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL14550984 0.80 BACE1 (0.42) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL6525177 0.80 ALDH1A1 (0.40) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL13177352 0.79 GAA (0.34) ALDH1A1GAATHRBHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884062-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2014-11-11 US disclosed
US-8884062-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2014-11-11 US disclosed
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2014-03-13 US disclosed
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2014-03-13 US disclosed
US-8541408-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2013-09-24 US disclosed
US-8507479-B2 2013-08-13 US disclosed
US-8507479-B2 2013-08-13 US disclosed
US-20120172355-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2012-07-05 US disclosed
US-8168630-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2012-05-01 US disclosed
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2010-03-25 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 (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-20120172355-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 ALDH1A1 1525/4885GAA 3572/4885THRB 101/4885
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 ALDH1A1 1383/4885GAA 3449/4885THRB 123/4885
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 ALDH1A1 1525/4885GAA 3572/4885THRB 101/4885

“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.