SCHEMBL2876345

SCHEMBL2876345

COC(=O)C(CC(=O)OC(C)(C)C)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
KLK5 Q9Y337 2/20 0.47
HDAC1 Q13547 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
MME P08473 3/20 0.45
ACE P12821 2/20 0.45
ACE2 Q9BYF1 1/20 0.45
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
MMEL1 Q495T6 1/20 0.44
ABCB1 P08183 1/20 0.44
KMT2A Q03164 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
SCHEMBL1915705 0.92 CA2 (0.52) CA2CA9CTSSCTSKKLK5
SCHEMBL1915701 0.92 CA2 (0.52) CA2CA9CTSSCTSKKLK5
SCHEMBL1912534 0.88 MME (0.51) CA2CA9CTSSCTSKMME
SCHEMBL1912588 0.88 MME (0.51) CA2CA9CTSSCTSKMME
SCHEMBL11994292 0.88 MME (0.51) CA2CA9CTSSCTSKMME
SCHEMBL3698369 0.88 CA2 (0.49) CA2CA9CTSSCTSK
SCHEMBL2873538 0.85 MMEL1 (0.54) CA2CA9CTSSCTSKMME
SCHEMBL2873536 0.85 MMEL1 (0.54) CA2CA9CTSSCTSKMME
SCHEMBL16859283 0.84 CTSS (0.46) CA2CA9CTSSCTSKKLK5
SCHEMBL3660504 0.84 KMT2A (0.44) CA2CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594557-B1 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2016-08-10 EP disclosed
EP-2594556-B1 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2016-08-10 EP disclosed
CN-103896796-B As the alanine derivatives of the replacement of enkephalinase inhibitor NOVARTIS AG (CH) 2016-04-27 CN disclosed
CN-102574801-B Substituted aminopropionic acid derivatives as enkephalinase inhibitors NOVARTIS AG (CH) 2016-04-27 CN disclosed
US-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS COPPOLA GARY MARK (US) 2014-10-02 US disclosed
US-8822534-B2 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2014-09-02 US disclosed
EP-2435409-B1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2014-08-13 EP disclosed
CN-103896796-A Substituted Aminopropionic Derivatives as Neprilysin inhibitors NOVARTIS INST FOR BIOMEDICAL RES INC 2014-07-02 CN disclosed
EP-2594556-A1 Substituted aminopropionic derivatives as neprilysin inhibitors Novartis AG (CH) 2013-05-22 EP disclosed
EP-2594557-A1 Substituted aminopropionic derivatives as neprilysin inhibitors Novartis AG (CH) 2013-05-22 EP disclosed
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2013-04-18 US disclosed
US-8394853-B2 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2013-03-12 US disclosed
US-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors NOVARTIS AG (CH) 2010-12-02 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 (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-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors MME, AGTR1, REN CA2 767/4885CA9 1967/4885CTSS 730/4885
US-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN CA2 767/4885CA9 1967/4885CTSS 730/4885
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN CA2 767/4885CA9 1967/4885CTSS 730/4885

“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.