SCHEMBL287225

SCHEMBL287225

CCC(C)(C)[S@@+]([O-])NC(C)(CC(=O)OC)c1cncc([N+](=O)[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
POLB P06746 2/20 0.36
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 2/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
GLA P06280 2/20 0.31
KMT2A Q03164 4/20 0.31
MEN1 O00255 3/20 0.31
PTGS2 P35354 1/20 0.31
MAPT P10636 2/20 0.30

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
SCHEMBL287223 1.00 ALDH1A1 (0.36) ALDH1A1POLBCYP2C19L3MBTL1GAA
SCHEMBL287224 1.00 ALDH1A1 (0.36) ALDH1A1POLBCYP2C19L3MBTL1GAA
SCHEMBL27851967 0.79 POLB (0.37) ALDH1A1POLBCYP2C19L3MBTL1GAA
SCHEMBL27868928 0.78 POLB (0.39) ALDH1A1POLBCYP2C19L3MBTL1HTT
SCHEMBL287072 0.76 CYP2C19 (0.39) ALDH1A1POLBCYP2C19L3MBTL1GAA
SCHEMBL287071 0.76 CYP2C19 (0.39) ALDH1A1POLBCYP2C19L3MBTL1GAA
SCHEMBL287232 0.74 MEN1 (0.45) ALDH1A1POLBCYP2C19L3MBTL1GAA
SCHEMBL287231 0.74 MEN1 (0.45) ALDH1A1POLBCYP2C19L3MBTL1GAA
SCHEMBL287233 0.74 MEN1 (0.45) ALDH1A1POLBCYP2C19L3MBTL1GAA
SCHEMBL287070 0.67 MEN1 (0.42) ALDH1A1POLBCYP2C19L3MBTL1HTT

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-8461160-B2 Dihydropyrimidinones HOFFMANN-LA ROCHE, INC. (US) 2013-06-11 US disclosed
EP-2427437-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 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 (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-20100286158-A1 DIHYDROPYRIMIDINONES BACE2, BACE1, PSEN2 ALDH1A1 563/4885POLB 3301/4885CYP2C19 415/4885

“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.