SCHEMBL18765

SCHEMBL18765

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.59
CTSK P43235 9/20 0.59
CTSB P07858 3/20 0.51
CTSL P07711 1/20 0.51
PTPN1 P18031 1/20 0.51
ATM Q13315 1/20 0.50
BCL2 P10415 1/20 0.50
PPARA Q07869 3/20 0.47
APP P05067 1/20 0.47
ACE P12821 2/20 0.47
PPARG P37231 2/20 0.46
MME P08473 1/20 0.44
ACE2 Q9BYF1 1/20 0.44

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
SCHEMBL28572952 1.00 CTSS (0.59) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL30866 1.00 CTSS (0.59) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL45753 1.00 CTSS (0.59) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL29373190 1.00 CTSS (0.59) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL30867 1.00 CTSS (0.59) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL30865 1.00 CTSS (0.59) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL13566632 1.00 CTSS (0.59) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL15415630 0.93 ATM (0.57) CTSSCTSKCTSBCTSLATM
SCHEMBL2507124 0.93 ATM (0.57) CTSSCTSKCTSBCTSLATM
SCHEMBL15415629 0.93 ATM (0.57) CTSSCTSKCTSBCTSLATM

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111269148-B Preparation method of Sacubitril intermediate 台州职业技术学院 2022-02-08 CN claimed
CN-111269148-A Preparation method of Sacubitril intermediate 台州职业技术学院 2020-06-12 CN claimed
CN-109415308-B Novel method for early-stage sabcomet intermediate 诺华股份有限公司 2022-09-06 CN disclosed
CN-111269148-B Preparation method of Sacubitril intermediate 台州职业技术学院 2022-02-08 CN disclosed
CN-111269148-B Preparation method of Sacubitril intermediate 台州职业技术学院 2022-02-08 CN disclosed
US-11161803-B2 Ammonium carboxylate compound, crystalline form, amorphous form and preparation method thereof WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2021-11-02 US disclosed
EP-3558930-B1 NEW PROCESS FOR EARLY SACUBITRIL INTERMEDIATES NOVARTIS AG (CH) 2021-05-26 EP disclosed
US-10774036-B2 Process for early sacubitril intermediates NOVARTIS AG (CH) 2020-09-15 US disclosed
CN-111269148-A Preparation method of Sacubitril intermediate 台州职业技术学院 2020-06-12 CN disclosed
CN-111269148-A Preparation method of Sacubitril intermediate 台州职业技术学院 2020-06-12 CN disclosed
US-20200055812-A1 AMMONIUM CARBOXYLATE COMPOUND, CRYSTALLINE FORM, AMORPHOUS FORM AND PREPARATION METHOD THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2020-02-20 US disclosed
WO-2012025501-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES FOR THE MANUFACTURE OF NEP INHIBITORS NOVARTIS AG (CH) 2012-03-01 WO 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
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
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
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
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

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-10774036-B2 Process for early sacubitril intermediates MME, ACE, DNPEP CTSS 605/4885CTSK 643/4885CTSB 237/4885
US-11161803-B2 Ammonium carboxylate compound, crystalline form, amorphous form and preparation method thereof ACMSD, ADSL, AMD1 CTSS 839/4885CTSK 887/4885CTSB 781/4885
US-20200055812-A1 AMMONIUM CARBOXYLATE COMPOUND, CRYSTALLINE FORM, AMORPHOUS FORM AND PREPARATION METHOD THEREOF ACMSD, ADSL, AMD1 CTSS 839/4885CTSK 887/4885CTSB 781/4885
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 2982/4885CTSB 521/4885

“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.