SCHEMBL2706288

SCHEMBL2706288

COc1ccc(F)cc1-c1ccc(CC(CC(C)C(=O)O)NC(=O)c2cc(O)no2)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 8/20 0.55
MME P08473 12/20 0.49
TPH1 P17752 3/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
ACE P12821 1/20 0.41

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
SCHEMBL12317530 0.92 MMEL1 (0.52) MMEL1MMETPH1NR3C1PGR
SCHEMBL12317532 0.92 MMEL1 (0.52) MMEL1MMETPH1NR3C1PGR
SCHEMBL12939810 0.90 MMEL1 (0.53) MMEL1MMETPH1NR3C1PGR
SCHEMBL12939811 0.90 MMEL1 (0.53) MMEL1MMETPH1NR3C1PGR
SCHEMBL2873785 0.89 MMEL1 (0.70) MMEL1MMETPH1NR3C1PGR
SCHEMBL2880694 0.89 MMEL1 (0.70) MMEL1MMETPH1NR3C1PGR
SCHEMBL15943053 0.87 MMEL1 (0.61) MMEL1MMETPH1NR3C1PGR
SCHEMBL7880473 0.86 MMEL1 (0.50) MMEL1MMETPH1NR3C1PGR
SCHEMBL7872165 0.86 MMEL1 (0.50) MMEL1MMETPH1NR3C1PGR
SCHEMBL10197861 0.84 MMEL1 (0.57) MMEL1MMETPH1NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263629-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2012-09-11 US claimed
US-9603819-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2017-03-28 US disclosed
EP-3048100-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS Novartis AG (CH) 2016-07-27 EP disclosed
EP-2435402-B1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2016-04-13 EP disclosed
US-20150174089-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2015-06-25 US disclosed
US-9006249-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2015-04-14 US disclosed
US-20120252830-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors NOVARTIS AG (CH) 2012-10-04 US disclosed
US-8263629-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2012-09-11 US disclosed
EP-2435402-A2 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS Novartis AG (CH) 2012-04-04 EP disclosed
WO-2010136474-A2 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2010-12-02 WO disclosed
US-20100305145-A1 Substituted Aminobutyric 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-20120252830-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors MME, GABRB1, GABRE MMEL1 427/4885MME 1/4885TPH1 597/4885
US-20150174089-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, GABRB1, GABRE MMEL1 427/4885MME 1/4885TPH1 597/4885
US-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors MME, GABRB1, GABRE MMEL1 427/4885MME 1/4885TPH1 597/4885

“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.