SCHEMBL4520914

SCHEMBL4520914

CC(C)(C)OC(=O)CC(C)(O)C(N)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
SLC7A5 Q01650 2/20 0.44
ATM Q13315 1/20 0.43
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
CTSS P25774 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
ACE P12821 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL28783199 0.84 KDM4E (0.41) KDM4ELMNAMAPK1SLC7A5ATM
SCHEMBL2295757 0.78 EPHX1 (0.48) SLC7A5ATMALPIPKMPTGS1
SCHEMBL901994 0.78 EPHX1 (0.48) SLC7A5ATMALPIPKMPTGS1
SCHEMBL901961 0.78 EPHX1 (0.48) SLC7A5ATMALPIPKMPTGS1
SCHEMBL7737369 0.77 ATM (0.46) KDM4ELMNAMAPK1SLC7A5ATM
SCHEMBL4526761 0.75 SLC15A1 (0.53) SLC7A5ATMALPIPKMPTGS1
SCHEMBL26931888 0.75 SYK (0.47) MAPK1MAPTTDP1POLBLAP3
SCHEMBL594132 0.74 SLC7A5 (0.58) SLC7A5ATMALPIPKMPTGS1
SCHEMBL314142 0.74 SLC7A5 (0.58) SLC7A5ATMALPIPKMPTGS1
SCHEMBL1221379 0.74 SLC7A5 (0.58) SLC7A5ATMALPIPKMPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697308-B1 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-03-19 EP disclosed
US-7550481-B2 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2009-06-23 US disclosed
EP-1697308-A4 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE MERCK & CO INC (US) 2007-08-22 EP disclosed
US-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2007-06-21 US disclosed
EP-1697308-A2 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE Merck & Co., Inc. (US) 2006-09-06 EP disclosed
WO-2005065195-A2 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2005-07-21 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-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease BACE1, BACE2, APP KDM4E 1217/4885LMNA 470/4885MAPK1 2851/4885

“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.