SCHEMBL4358060

SCHEMBL4358060

CC(C)(C)OC(=O)N[C@H](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
SCHEMBL4358057 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062007-B2 Cyclic amide BACE-1 inhibitors having a benzamide substituent MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
US-8895571-B2 Isoindolinone and pyrrolopyridinone derivatives as Akt inhibitors INCYTE CORPORATION (US) 2014-11-25 US disclosed
US-8895571-B2 Isoindolinone and pyrrolopyridinone derivatives as Akt inhibitors INCYTE CORPORATION (US) 2014-11-25 US disclosed
US-20140128361-A1 CYCLIC AMIDE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2014-05-08 US disclosed
US-8623867-B2 Cyclic amine BACE-1 inhibitors having a benzamide substituent MERCK SHARP & DOHME CORP. (US) 2014-01-07 US disclosed
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 US disclosed
WO-2013056015-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 WO disclosed
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 US disclosed
US-8278334-B2 Cyclic amine BACE-1 inhibitors having a benzamide substituent Merck, Sharp & Dohme Corp. (US) 2012-10-02 US disclosed
US-7910590-B2 Cyclic amine bace-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2011-03-22 US disclosed
US-20090312341-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORPORATION 2009-12-17 US disclosed
US-20090312341-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORPORATION 2009-12-17 US disclosed
US-7618978-B2 Amides as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
US-7598250-B2 Cyclic amine BACE-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2009-10-06 US disclosed
US-7598250-B2 Cyclic amine BACE-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2009-10-06 US disclosed
EP-1660447-B1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORP (US) 2008-07-30 EP disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed
EP-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO disclosed
WO-2005014540-A1 CYCLIC AMINE BASE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORPORATION (US) 2005-02-17 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 (4 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-20140128361-A1 CYCLIC AMIDE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT BACE1, BACE2, BCHE ATM 2724/4885CTSS 57/4885CTSK 434/4885
US-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP ATM 4476/4885CTSS 46/4885CTSK 106/4885
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS MTOR, PDPK1, PIK3CA ATM 72/4885CTSS 3919/4885CTSK 2086/4885
US-20090312341-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT BACE1, BACE2, PSEN1 ATM 2525/4885CTSS 55/4885CTSK 351/4885

“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.