SCHEMBL3868892

SCHEMBL3868892

CCOC(=O)/C=C/[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.53
CTSK P43235 2/20 0.53
CTSL P07711 4/20 0.47
ACE P12821 2/20 0.46
CTSB P07858 3/20 0.45
BCL2 P10415 1/20 0.45
PPARA Q07869 2/20 0.44
TSHR P16473 1/20 0.44
PPARG P37231 1/20 0.44
ATM Q13315 1/20 0.44
MME P08473 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
SCN9A Q15858 1/20 0.44
PTPN1 P18031 1/20 0.44
KLK5 Q9Y337 1/20 0.43

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
SCHEMBL8190987 1.00 CTSS (0.53) CTSSCTSKCTSLACECTSB
SCHEMBL1908584 1.00 CTSS (0.53) CTSSCTSKCTSLACECTSB
SCHEMBL3868893 1.00 CTSS (0.53) CTSSCTSKCTSLACECTSB
SCHEMBL2249922 0.93 CTSL (0.50) CTSSCTSKCTSLACECTSB
SCHEMBL5765651 0.93 CTSL (0.50) CTSSCTSKCTSLACECTSB
SCHEMBL2249917 0.93 CTSL (0.50) CTSSCTSKCTSLACECTSB
SCHEMBL5765656 0.93 CTSL (0.50) CTSSCTSKCTSLACECTSB
SCHEMBL5743142 0.93 CTSL (0.50) CTSSCTSKCTSLACECTSB
SCHEMBL5743140 0.93 CTSL (0.50) CTSSCTSKCTSLACECTSB
SCHEMBL14885697 0.88 CTSK (0.40) CTSSCTSKCTSLACEBCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946481-B2 Process for preparing biaryl substituted 4-amino butyric acid or derivatives thereof and their use in the production of NEP inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
EP-2066618-B1 PROCESS FOR PREPARING BIARYL SUBSTITUTED 4-AMINO-BUTYRIC ACID OR DERIVATIVES THEREOF AND THEIR USE IN THE PRODUCTION OF NEP INHIBITORS NOVARTIS AG (CH) 2014-07-23 EP disclosed
US-20130066101-A1 PROCESS FOR PREPARING BIARYL SUBSTITUTED 4-AMINO BUTYRIC ACID OR DERIVATIVES THEREOF AND THEIR USE IN THE PRODUCTION OF NEP INHIBITORS NOVARTIS AG (CH) 2013-03-14 US disclosed
US-20090326066-A1 PROCESS FOR PREPARING BIARYL SUBSTITUTED 4-AMINO-BUTYRIC ACID OR DERIVATIVES THEREOF AND THEIR USE IN THE PRODUCTION OF NEP INHIBITORS NOVARTIS AG (CH) 2009-12-31 US disclosed
EP-2066618-A1 PROCESS FOR PREPARING BIARYL SUBSTITUTED 4-AMINO-BUTYRIC ACID OR DERIVATIVES THEREOF AND THEIR USE IN THE PRODUCTION OF NEP INHIBITORS Novartis AG (CH) 2009-06-10 EP disclosed
EP-1903027-A1 Process for preparing biaryl substituted 4-amino-butyric acid or derivatives thereof and their use in the production of NEP inhibitors Novartis AG (CH) 2008-03-26 EP disclosed
WO-2008031567-A1 PROCESS FOR PREPARING BIARYL SUBSTITUTED 4-AMINO-BUTYRIC ACID OR DERIVATIVES THEREOF AND THEIR USE IN THE PRODUCTION OF NEP INHIBITORS NOVARTIS AG (CH) 2008-03-20 WO disclosed
EP-0660840-B1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA GEIGY AG (CH) 1997-05-07 EP disclosed
WO-1996026729-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES AS ECE INHIBITORS CIBA-GEIGY AG (CH) 1996-09-06 WO disclosed
US-5550119-A ENDOTHELIN-CONVERTING ENZYM INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
EP-0660840-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES. CIBA GEIGY AG (CH) 1995-07-05 EP disclosed
WO-1994005677-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA-GEIGY AG (CH) 1994-03-17 WO disclosed
US-5273990-A 5-Phosphonomethyleneamino aryl-substitued alkylene-1H-tetazoles CIBA-GEIGY CORPORATION (US) 1993-12-28 US disclosed
US-5250522-A Neutral endopeptidase inhibitors; cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1993-10-05 US 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 (2 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-20130066101-A1 PROCESS FOR PREPARING BIARYL SUBSTITUTED 4-AMINO BUTYRIC ACID OR DERIVATIVES THEREOF AND THEIR USE IN THE PRODUCTION OF NEP INHIBITORS MME, REN, BCAT2 CTSS 1512/4885CTSK 3062/4885CTSL 1962/4885
US-20090326066-A1 PROCESS FOR PREPARING BIARYL SUBSTITUTED 4-AMINO-BUTYRIC ACID OR DERIVATIVES THEREOF AND THEIR USE IN THE PRODUCTION OF NEP INHIBITORS MME, REN, BCAT2 CTSS 1291/4885CTSK 2982/4885CTSL 1773/4885

“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.