SCHEMBL2898475

SCHEMBL2898475

COC(=O)c1cc(CO)cc(N(C)S(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
TSHR P16473 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 3/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
USP2 O75604 1/20 0.39
BACE1 P56817 2/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
GAA P10253 3/20 0.39
RECQL P46063 1/20 0.39
SLC7A5 Q01650 1/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 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
SCHEMBL3511987 0.87 LOXL2 (0.49) KDM4ETSHRALDH1A1HSD17B10KMT2A
SCHEMBL13412260 0.87 KDM4E (0.47) KDM4ETSHRALDH1A1HSD17B10KMT2A
SCHEMBL475760 0.86 KDM4E (0.56) KDM4ETSHRALDH1A1HSD17B10KMT2A
SCHEMBL8155821 0.84 BACE1 (0.41) LMNABACE1SMN1; SMN2
SCHEMBL12180307 0.84 L3MBTL1 (0.51) KDM4ETSHRALDH1A1HSD17B10KMT2A
SCHEMBL2214134 0.81 PRKCA (0.39) KDM4EALDH1A1HSD17B10KMT2AL3MBTL1
SCHEMBL27816867 0.81 KDM4E (0.42) KDM4ETSHRALDH1A1HSD17B10KMT2A
SCHEMBL165562 0.81 KDM4E (0.51) KDM4ETSHRALDH1A1HSD17B10KMT2A
SCHEMBL7868931 0.81 KDM4E (0.51) KDM4ETSHRALDH1A1HSD17B10KMT2A
SCHEMBL3446204 0.81 CA12 (0.58) KDM4ETSHRALDH1A1HSD17B10KMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814537-B1 MACROCYCLIC TERTIARY AMINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-11-12 EP disclosed
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
US-7816387-B2 β secretase inhibitor DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-10-19 US disclosed
US-7816387-B2 β secretase inhibitor DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-10-19 US disclosed
US-7816387-B2 β secretase inhibitor DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-10-19 US disclosed
CN-101821238-A Suppress the active isophthaloyl sulfonamide derivatives of beta-secretase (BETA-SECRETASE) COMENTIS INC 2010-09-01 CN 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
US-20090198056-A1 Beta secretase inhibitor KISO, YOSHIAKI (JP) 2009-08-06 US disclosed
US-20090198056-A1 Beta secretase inhibitor KISO, YOSHIAKI (JP) 2009-08-06 US disclosed
US-20090198056-A1 Beta secretase inhibitor KISO, YOSHIAKI (JP) 2009-08-06 US 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
US-20080269302-A1 Macrocyclic Tertiary Amine Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2008-10-30 US disclosed
WO-2008119772-A1 AMIDE DERIVATIVES AS INHIBITORS OF ASPARTYL PROTEASES MEDIVIR AB (SE) 2008-10-09 WO disclosed
EP-1942101-A1 SECRETASE INHIBITOR Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-09 EP disclosed
EP-1814537-A2 MACROCYCLIC TERTIARY AMINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2007-08-08 EP disclosed
WO-2006055434-A2 MACROCYCLIC TERTIARY AMINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2006-05-26 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 (4 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-20090198056-A1 Beta secretase inhibitor BACE1, BACE2, APP KDM4E 1815/4885TSHR 3066/4885ALDH1A1 2130/4885
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY BACE1, BACE2, APP KDM4E 2088/4885TSHR 4471/4885ALDH1A1 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 KDM4E 1534/4885TSHR 4490/4885ALDH1A1 1430/4885
US-20080269302-A1 Macrocyclic Tertiary Amine Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, PSEN1 KDM4E 1484/4885TSHR 3764/4885ALDH1A1 1302/4885

“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.