SCHEMBL1976729

SCHEMBL1976729

CCC(CC(=O)OC)(N[S@+]([O-])C(C)(C)C)c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
GAA P10253 2/20 0.45
THRB P10828 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 1/20 0.45
POLB P06746 4/20 0.37
KMT2A Q03164 4/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
GLA P06280 1/20 0.35
BACE1 P56817 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 2/20 0.34
TDP1 Q9NUW8 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
SCHEMBL1976728 1.00 ALDH1A1 (0.45) ALDH1A1GAATHRBL3MBTL1HTT
SCHEMBL1976727 1.00 ALDH1A1 (0.45) ALDH1A1GAATHRBL3MBTL1HTT
SCHEMBL1441186 0.92 ALDH1A1 (0.43) ALDH1A1GAATHRBL3MBTL1HTT
SCHEMBL2588644 0.92 ALDH1A1 (0.43) ALDH1A1GAATHRBL3MBTL1HTT
SCHEMBL2588642 0.92 ALDH1A1 (0.43) ALDH1A1GAATHRBL3MBTL1HTT
SCHEMBL27876406 0.90 ALDH1A1 (0.47) ALDH1A1GAATHRBL3MBTL1HTT
SCHEMBL27876407 0.90 ALDH1A1 (0.47) ALDH1A1GAATHRBL3MBTL1HTT
SCHEMBL286840 0.86 ALDH1A1 (0.42) ALDH1A1GAATHRBL3MBTL1HTT
SCHEMBL286842 0.86 ALDH1A1 (0.42) ALDH1A1GAATHRBL3MBTL1HTT
SCHEMBL286841 0.86 ALDH1A1 (0.42) ALDH1A1GAATHRBL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509966-B1 AMINO OXAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-10-22 EP disclosed
EP-2509966-A1 AMINO OXAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-17 EP disclosed
US-7964594-B1 Amino oxazine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-20110144098-A1 AMINO OXAZINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-06-16 US disclosed
WO-2011070029-A1 AMINO OXAZINE DERIVATIVES 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-20110144098-A1 AMINO OXAZINE DERIVATIVES BACE2, BACE1, PSEN2 ALDH1A1 548/4885GAA 176/4885THRB 2502/4885

“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.