SCHEMBL4358057

SCHEMBL4358057

CC(C)(C)OC(=O)NC(CO)Cc1cc(F)cc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.48
CTSS P25774 5/20 0.46
CTSK P43235 3/20 0.46
AAK1 Q2M2I8 1/20 0.41
PCNA P12004 1/20 0.41
APP P05067 3/20 0.40
ACE P12821 1/20 0.39
JAK2 O60674 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BACE1 P56817 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 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
SCHEMBL4358060 1.00 ATM (0.48) ATMCTSSCTSKAAK1PCNA
SCHEMBL10324438 0.87 CTSS (0.61) ATMCTSSCTSKAPPACE
SCHEMBL8271569 0.87 ATM (0.54) ATMCTSSCTSKAPPACE
SCHEMBL7455343 0.86 CTSS (0.58) ATMCTSSCTSKAPPACE
SCHEMBL4894627 0.86 CTSS (0.58) ATMCTSSCTSKAPPACE
SCHEMBL4896117 0.86 CTSS (0.58) ATMCTSSCTSKAPPACE
SCHEMBL14141196 0.85 ATM (0.45) ATMCTSSCTSKAAK1APP
SCHEMBL8278039 0.84 ATM (0.44) ATMCTSSCTSKAAK1APP
SCHEMBL13260255 0.83 ATM (0.48) ATMCTSSCTSKAAK1PCNA
SCHEMBL8357223 0.83 KLK5 (0.49) CTSSCTSKBACE1CTSD

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
US-7618978-B2 Amides as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
US-20080166332-A1 Methods of Treatment of Amyloidosis Using Subsituted Ethanolcyclicamine Aspartyl Protease Inhibitors ELAN PHARMACEUTICALS, INC. (US) 2008-07-10 US disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed
EP-1802574-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING ETHANOL CYCLICAMINE DERIVATIVES ASPARTYL PROTEASE INHIBITORS Elan Pharmaceuticals Inc. (US) 2007-07-04 EP disclosed
EP-1789388-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING SUBSTITUTED ETHANOLCYCLICAMINE ASPARTYL PROTEASE INHIBITORS Elan Pharmaceuticals, Inc. (US) 2007-05-30 EP disclosed
US-20060074098-A1 Methods of treatment of amyloidosis using ethanolcyclicamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-04-06 US disclosed
WO-2006026532-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING SUBSTITUTED ETHANOLCYCLICAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-03-09 WO disclosed
WO-2006026533-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING ETHANOL CYCLICAMINE DERIVATIVES ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-03-09 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 (3 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-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP ATM 4476/4885CTSS 46/4885CTSK 106/4885
US-20080166332-A1 Methods of Treatment of Amyloidosis Using Subsituted Ethanolcyclicamine Aspartyl Protease Inhibitors AMY1A, AMY2A, DNPEP ATM 1113/4885CTSS 153/4885CTSK 353/4885
US-20060074098-A1 Methods of treatment of amyloidosis using ethanolcyclicamine aspartyl protease inhibitors DNPEP, AMY1A, AMY2A ATM 1299/4885CTSS 128/4885CTSK 205/4885

“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.