SCHEMBL4520907

SCHEMBL4520907

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.60
CTSS P25774 4/20 0.57
CTSK P43235 3/20 0.57
CTSL P07711 1/20 0.57
CTSB P07858 1/20 0.57
ACE P12821 1/20 0.55
KLK5 Q9Y337 2/20 0.51
PPARA Q07869 2/20 0.50
PPARG P37231 1/20 0.50
AKT1 P31749 1/20 0.50
ALDH1A1 P00352 2/20 0.49
APP P05067 1/20 0.49
REN P00797 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
XBP1 P17861 1/20 0.48

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
SCHEMBL21457956 0.85 ATM (0.57) ATMCTSSCTSKCTSLCTSB
SCHEMBL28356132 0.83 ATM (0.52) ATMCTSSCTSKCTSLCTSB
SCHEMBL4332764 0.83 NPC1 (0.50) ATMMEN1LMNAKMT2ANPSR1
SCHEMBL18930493 0.82 CTSS (0.50) ATMCTSSCTSKCTSLCTSB
SCHEMBL12203694 0.82 NPC1 (0.63) ATMCTSSCTSKCTSLCTSB
SCHEMBL9299789 0.82 ATM (0.63) ATMCTSSCTSKCTSLCTSB
SCHEMBL3676162 0.82 NPC1 (0.63) ATMCTSSCTSKCTSLCTSB
SCHEMBL29401299 0.82 NPC1 (0.63) ATMCTSSCTSKCTSLCTSB
SCHEMBL7939304 0.82 ATM (0.63) ATMCTSSCTSKCTSLCTSB
SCHEMBL3676166 0.82 NPC1 (0.63) ATMCTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110724112-A Bisoxazoline ligand compound and synthetic method thereof 五邑大学 2020-01-24 CN disclosed
CN-110724112-A Bisoxazoline ligand compound and synthetic method thereof 五邑大学 2020-01-24 CN disclosed
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 ATM 3450/4885CTSS 143/4885CTSK 317/4885

“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.