SCHEMBL1976375

SCHEMBL1976375

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
ACHE P22303 1/20 0.34
CES1 P23141 1/20 0.34
ALDH1A1 P00352 2/20 0.33
FBP1 P09467 1/20 0.33
ALOX5 P09917 2/20 0.33
PTGES O14684 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
BACE1 P56817 1/20 0.33
LMNA P02545 2/20 0.32
TAAR1 Q96RJ0 2/20 0.32
KAT6A Q92794 1/20 0.32
KCNN4 O15554 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
NPSR1 Q6W5P4 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL1976378 1.00 CES2 (0.34) CES2ACHECES1ALDH1A1FBP1
SCHEMBL1976376 1.00 CES2 (0.34) CES2ACHECES1ALDH1A1FBP1
SCHEMBL12612075 0.86 BACE1 (0.33) FBP1POLBMAPTBACE1LMNA
SCHEMBL2591815 0.86 BACE1 (0.33) FBP1POLBMAPTBACE1LMNA
SCHEMBL2591820 0.86 BACE1 (0.33) FBP1POLBMAPTBACE1LMNA
SCHEMBL2591819 0.86 BACE1 (0.33) FBP1POLBMAPTBACE1LMNA
SCHEMBL10295522 0.85 ALDH1A1 (0.42) ALDH1A1FBP1POLBMAPTLMNA
SCHEMBL1976991 0.85 ALDH1A1 (0.42) ALDH1A1FBP1POLBMAPTLMNA
SCHEMBL1976994 0.85 ALDH1A1 (0.42) ALDH1A1FBP1POLBMAPTLMNA
SCHEMBL1976993 0.85 ALDH1A1 (0.42) ALDH1A1FBP1POLBMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (1 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-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES BACE2, BACE1, APP CES2 929/4885ACHE 25/4885CES1 596/4885

“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.