SCHEMBL12975713

SCHEMBL12975713

CCOC(=O)C[C@@H](Cc1ccc(-c2cc(Cl)ccc2OC)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 9/20 0.58
▸ MMEL1 Q495T6 7/20 0.58
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ITGA4 P13612 1/20 0.39
▸ ITGB7 P26010 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
SCHEMBL10197522 0.90 MMEL1 (0.52) MMEMMEL1ALDH1A1MAPTKDM4E
SCHEMBL10198332 0.89 MMEL1 (0.58) MMEMMEL1ATMITGA4ITGB7
SCHEMBL15943065 0.89 MMEL1 (0.45) MMEMMEL1ALDH1A1MAPTKDM4E
SCHEMBL8552371 0.89 MME (0.50) MMEMMEL1
SCHEMBL2875424 0.89 MMEL1 (0.72) MMEMMEL1ALDH1A1ATMITGA4
SCHEMBL16133216 0.88 MME (0.61) MMEMMEL1ALDH1A1HPGDNR1H4
SCHEMBL14952871 0.84 MME (0.82) MMEMMEL1
SCHEMBL10197632 0.84 MME (0.82) MMEMMEL1
SCHEMBL2779890 0.83 MMEL1 (0.62) MMEMMEL1
SCHEMBL2779899 0.83 MMEL1 (0.62) MMEMMEL1

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
US-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS COPPOLA GARY MARK (US) 2014-10-02 — — US 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
US-8822534-B2 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2014-09-02 — — US 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-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-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 MME 1/4885MMEL1 299/4885ALDH1A1 852/4885
US-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN MME 1/4885MMEL1 299/4885ALDH1A1 852/4885
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN MME 1/4885MMEL1 299/4885ALDH1A1 852/4885

“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.

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