SCHEMBL3507773

SCHEMBL3507773

CC(C)(O)c1cc(C#N)cc(C(C)(C)O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.40
ALB P02768 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
GSK3B P49841 1/20 0.36
CSNK1G2 P78368 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP11B2 P19099 2/20 0.35
KIF11 P52732 1/20 0.32
PPARA Q07869 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
GABRA1 P14867 3/20 0.31
GABRG2 P18507 3/20 0.31
GABRB3 P28472 3/20 0.31
GABRA3 P34903 2/20 0.31

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
SCHEMBL22543792 0.82 KIF11 (0.39) TTRALBL3MBTL1CSNK1A1CSNK1D
SCHEMBL15321368 0.76 L3MBTL1 (0.40) L3MBTL1CSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL18195529 0.71 ALDH1A1 (0.37) L3MBTL1MEN1KMT2AKIF11HSD11B1
SCHEMBL30695903 0.71 ALDH1A1 (0.37) L3MBTL1MEN1KMT2AKIF11HSD11B1
SCHEMBL3512912 0.70 RAB9A (0.33) GABRA1
SCHEMBL19475025 0.67 CA2 (0.41) L3MBTL1HSD11B1
SCHEMBL25140647 0.67 HMGCR (0.40) TTRALBL3MBTL1MEN1KMT2A
SCHEMBL22011742 0.67 TTR (0.38) TTRALBL3MBTL1CSNK1A1CSNK1D
SCHEMBL16852469 0.67 SMN1; SMN2 (0.38) CSNK1A1MEN1KMT2ACYP11B2CYP11B1
SCHEMBL23594988 0.65 HSP90AA1 (0.48) L3MBTL1MEN1KMT2A

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 TTR 3582/4885ALB 4874/4885L3MBTL1 815/4885
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 TTR 2813/4885ALB 4786/4885L3MBTL1 2988/4885

“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.