Sugi Predict

Sugi Predict / Compounds / SCHEMBL1976993

SCHEMBL1976993

SCHEMBL1976993

CCOC(=O)C(F)(F)[C@](C)(N[S@+]([O-])C(C)(C)C)c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ KMT2A Q03164 5/20 0.40
▸ FBP1 P09467 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ LMNA P02545 5/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 5/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL10295522 1.00 ALDH1A1 (0.42) ALDH1A1L3MBTL1GAAHTTTHRB
SCHEMBL1976994 1.00 ALDH1A1 (0.42) ALDH1A1L3MBTL1GAAHTTTHRB
SCHEMBL1976991 1.00 ALDH1A1 (0.42) ALDH1A1L3MBTL1GAAHTTTHRB
SCHEMBL1978825 0.90 THRB (0.42) ALDH1A1THRBKMT2AFBP1POLB
SCHEMBL1978823 0.90 THRB (0.42) ALDH1A1THRBKMT2AFBP1POLB
SCHEMBL1978819 0.90 THRB (0.42) ALDH1A1THRBKMT2AFBP1POLB
SCHEMBL1973842 0.88 FBP1 (0.36) ALDH1A1L3MBTL1GAAHTTTHRB
SCHEMBL1973840 0.88 FBP1 (0.36) ALDH1A1L3MBTL1GAAHTTTHRB
SCHEMBL1973839 0.88 FBP1 (0.36) ALDH1A1L3MBTL1GAAHTTTHRB
SCHEMBL1976375 0.85 CES2 (0.34) ALDH1A1L3MBTL1FBP1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073909-B2 [1,3]oxazines HOFFMANN-LA ROCHE INC. (US) 2015-07-07 — — US disclosed
US-9073909-B2 [1,3]oxazines HOFFMANN-LA ROCHE INC. (US) 2015-07-07 — — US disclosed
US-9073909-B2 [1,3]oxazines HOFFMANN-LA ROCHE INC. (US) 2015-07-07 — — US disclosed
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-8785436-B2 1,3-oxazines as BACE 1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-07-22 — — US disclosed
US-20140112867-A1 [1,3]OXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2014-04-24 — — US disclosed
US-20140112867-A1 [1,3]OXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2014-04-24 — — US disclosed
US-20140112867-A1 [1,3]OXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2014-04-24 — — US disclosed
EP-2718287-A1 [1,3]OXAZINES F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 — — EP disclosed
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2014-03-13 — — US disclosed
US-8389513-B2 2-amino-5,5-difluoro-5,6-dihydro-4H-[1,3]oxazin-4-yl)-phenyl]-amides HOFFMANN-LA ROCHE INC. (US) 2013-03-05 — — US disclosed
US-8389513-B2 2-amino-5,5-difluoro-5,6-dihydro-4H-[1,3]oxazin-4-yl)-phenyl]-amides HOFFMANN-LA ROCHE INC. (US) 2013-03-05 — — US disclosed
WO-2012168175-A1 [1,3]OXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 — — WO disclosed
US-20120295900-A1 1,3-OXAZINES AS BACE 1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 — — US disclosed
WO-2012156284-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 — — WO disclosed
EP-2509965-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-10-17 — — EP disclosed
US-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 — — US disclosed
US-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 — — US disclosed
WO-2011069934-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 — — WO 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-20140112867-A1 [1,3]OXAZINES BACE2, BACE1, APP ALDH1A1 271/4885L3MBTL1 4655/4885GAA 21/4885
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 ALDH1A1 1525/4885L3MBTL1 1183/4885GAA 3572/4885
US-20120295900-A1 1,3-OXAZINES AS BACE 1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 ALDH1A1 240/4885L3MBTL1 4505/4885GAA 10/4885
US-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES BACE2, BACE1, APP ALDH1A1 241/4885L3MBTL1 4307/4885GAA 16/4885

“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.