SCHEMBL5586145

SCHEMBL5586145

CC(C)(C)OC(=O)NC(C)(C)C(=O)Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.55
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MMP13 P45452 1/20 0.40
AKT1 P31749 2/20 0.40
HTT P42858 1/20 0.38
KDM1A O60341 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
SCHEMBL2159641 0.87 ELANE (0.48) ELANEMEN1NPC1GAARAB9A
SCHEMBL28310500 0.84 NPC1 (0.47) ELANEMEN1NPC1RAB9AKMT2A
SCHEMBL5585952 0.84 ELANE (0.46) ELANECA12CA1ALDH1A1MMP13
SCHEMBL28532387 0.83 ELANE (0.42) ELANEMEN1NPC1GAARAB9A
SCHEMBL20999892 0.81 MEN1 (0.51) ELANEMEN1NPC1GAARAB9A
SCHEMBL27666836 0.78 CTSK (0.43) ELANECA12CA1CA7CA14
SCHEMBL19421377 0.78 ELANE (0.54) ELANEGAAATML3MBTL1ALDH1A1
SCHEMBL1728479 0.77 SYK (0.53) MEN1NPC1RAB9AKMT2ACA12
SCHEMBL12192366 0.77 SRC (0.46) ELANEMEN1NPC1GAARAB9A
SCHEMBL2159275 0.76 ALDH1A1 (0.49) ELANEMEN1NPC1GAARAB9A

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
CN-119431164-A Process for preparing 2-amino-1- (4-isopropoxy-2-methylphenyl) -2-methylpropan-1-one 浙江工业大学 2025-02-14 CN disclosed
US-8394837-B2 2,3,4,6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme, Corp. (US) 2013-03-12 US disclosed
EP-1817311-B1 2,3,4,6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
US-20070293497-A1 2,3,4,6-Substituted Pyridyl Derivative Compounds Useful As Beta-Secretase Inhibitors For The Treatment Of Alzheimer's Disease MERCK SHARP & DOHME LLC 2007-12-20 US disclosed
EP-1817311-A2 2,3,4,6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2007-08-15 EP disclosed
WO-2006057945-A2 2,3,4,6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2006-06-01 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-20070293497-A1 2,3,4,6-Substituted Pyridyl Derivative Compounds Useful As Beta-Secretase Inhibitors For The Treatment Of Alzheimer's Disease BACE1, BACE2, PSEN2 ELANE 2019/4885MEN1 2942/4885NPC1 900/4885

“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.