SCHEMBL3445965

SCHEMBL3445965

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
USP2 O75604 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
GAA P10253 3/20 0.39
POLB P06746 2/20 0.39
NFKB1 P19838 1/20 0.39
XDH P47989 1/20 0.39

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
SCHEMBL475760 0.89 KDM4E (0.56) KDM4EL3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL165562 0.83 KDM4E (0.51) KDM4EL3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL7868931 0.83 KDM4E (0.51) KDM4EL3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL3446204 0.83 CA12 (0.58) KDM4EL3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL12180307 0.83 L3MBTL1 (0.51) KDM4EL3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL3595760 0.82 L3MBTL1 (0.51) KDM4EL3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL17113062 0.82 CA12 (0.46) KDM4EL3MBTL1ALDH1A1LMNAHSD17B10
SCHEMBL3446852 0.82 L3MBTL1 (0.50) KDM4EL3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL3511987 0.81 LOXL2 (0.49) KDM4EL3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL5159229 0.80 KMT2A (0.38) KDM4EL3MBTL1ALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1562897-B1 PHENYLCARBOXAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE MERCK & CO INC (US) 2009-09-16 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
EP-1942101-A1 SECRETASE INHIBITOR Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-09 EP disclosed
EP-1942101-A1 SECRETASE INHIBITOR Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-09 EP disclosed
US-7348356-B2 Phenylcarboxamide beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2008-03-25 US disclosed
US-7348356-B2 Phenylcarboxamide beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2008-03-25 US disclosed
US-7348448-B2 Phenylcarboxylate beta-secretase inhibitors for the treatment of alzheimer's disease MERCK & CO., INC. (US) 2008-03-25 US disclosed
US-7348448-B2 Phenylcarboxylate beta-secretase inhibitors for the treatment of alzheimer's disease MERCK & CO., INC. (US) 2008-03-25 US disclosed
WO-2005004803-A2 PHENYLCARBOXYLATE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2005-01-20 WO disclosed
WO-2004043916-A1 PHENYLCARBOXAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2004-05-27 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-20090198056-A1 Beta secretase inhibitor BACE1, BACE2, APP KDM4E 1815/4885L3MBTL1 1012/4885ALDH1A1 2130/4885

“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.