SCHEMBL3512466

SCHEMBL3512466

CCOC(=O)C(=CN(CC)CC)C(C)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.62
NPSR1 Q6W5P4 4/20 0.47
ALDH1A1 P00352 5/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
MAPT P10636 5/20 0.43
USP2 O75604 1/20 0.43
IDE P14735 1/20 0.43
TNNI3 P19429 1/20 0.43
TNNT2 P45379 1/20 0.43
TNNC1 P63316 1/20 0.43
CYP2D6 P10635 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C9 P11712 2/20 0.40
DHODH Q02127 2/20 0.38
LMNA P02545 3/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL120745 0.82 GLO1 (0.64) GLO1NPSR1ALDH1A1GAAMEN1
SCHEMBL120746 0.82 GLO1 (0.64) GLO1NPSR1ALDH1A1GAAMEN1
SCHEMBL5902214 0.82 GLO1 (0.64) GLO1NPSR1ALDH1A1GAAMEN1
SCHEMBL18936318 0.80 NPSR1 (0.43) GLO1NPSR1ALDH1A1GAAMEN1
SCHEMBL18936320 0.80 NPSR1 (0.43) GLO1NPSR1ALDH1A1GAAMEN1
SCHEMBL373413 0.80 GLO1 (0.45) GLO1NPSR1ALDH1A1GAAMEN1
SCHEMBL1406532 0.79 NPSR1 (0.42) GLO1NPSR1ALDH1A1GAAMEN1
SCHEMBL18936311 0.79 NPSR1 (0.42) GLO1NPSR1ALDH1A1GAAMEN1
SCHEMBL1406245 0.79 NPSR1 (0.42) GLO1NPSR1ALDH1A1GAAMEN1
SCHEMBL18936293 0.79 NPSR1 (0.42) GLO1NPSR1ALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299267-B2 (3-hydroxy-4-amino-butan-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for treating COMENTIS, INC. (US) 2012-10-30 US disclosed
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC 2010-11-11 US disclosed
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 US disclosed
EP-2205596-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2010-07-14 EP disclosed
EP-2178837-A2 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-04-28 EP disclosed
WO-2009042694-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2009-04-02 WO disclosed
WO-2009015369-A2 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2009-01-29 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 (2 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-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY BACE1, BACE2, APP GLO1 1456/4885NPSR1 2000/4885ALDH1A1 1223/4885
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING BACE1, BACE2, PSEN1 GLO1 2014/4885NPSR1 2773/4885ALDH1A1 1430/4885

“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.