SCHEMBL4077293

SCHEMBL4077293

CC(C)(C)OC(=O)C[C@](C)(N[S@+]([O-])C(C)(C)C)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.42
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53BP1 Q12888 1/20 0.34
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
AAK1 Q2M2I8 3/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GLA P06280 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
SCHEMBL9899110 0.91 KMT2A (0.35) BACE1KMT2AMEN1SMN1; SMN2TP53BP1
SCHEMBL10773 0.91 KMT2A (0.35) BACE1KMT2AMEN1SMN1; SMN2TP53BP1
SCHEMBL28605631 0.87 EGFR (0.36) BACE1KMT2AMEN1SMN1; SMN2TP53BP1
SCHEMBL28605630 0.87 EGFR (0.36) BACE1KMT2AMEN1SMN1; SMN2TP53BP1
SCHEMBL18787099 0.87 EGFR (0.36) BACE1KMT2AMEN1SMN1; SMN2TP53BP1
SCHEMBL18786960 0.85 CYP2C19 (0.39) BACE1KMT2AMEN1SMN1; SMN2TP53BP1
SCHEMBL21981879 0.85 CYP2C19 (0.39) BACE1KMT2AMEN1SMN1; SMN2TP53BP1
SCHEMBL21981882 0.85 CYP2C19 (0.39) BACE1KMT2AMEN1SMN1; SMN2TP53BP1
SCHEMBL1424365 0.85 MEN1 (0.36) BACE1KMT2AMEN1SMN1; SMN2TP53BP1
SCHEMBL4180254 0.85 CYP2C19 (0.39) BACE1KMT2AMEN1SMN1; SMN2TP53BP1

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-8895548-B2 Pharmaceutical composition for treating alzheimer's disease SHIONOGI & CO., LTD. (JP) 2014-11-25 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-20140058097-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE SHIONOGI & CO., LTD. (JP) 2014-02-27 US disclosed
US-8653067-B2 Pharmaceutical composition for treating Alzheimer's disease SHIONOGI & CO., LTD. (JP) 2014-02-18 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-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

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 BACE1 6/4885CTSB 911/4885CTSS 2222/4885
US-20140058097-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE NR1H2, NR1H3, NR0B1 BACE1 17/4885CTSB 1271/4885CTSS 2092/4885
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 BACE1 6/4885CTSB 911/4885CTSS 2222/4885

“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.