SCHEMBL1912646

SCHEMBL1912646

CCOC(=O)CN(C(=O)OC(C)(C)C)C(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL22157826 0.87 CYP2D6 (0.33) CA1CA2GAAHDAC6HDAC1
SCHEMBL28412217 0.87 CYP2D6 (0.33) CA1CA2GAAHDAC6HDAC1
SCHEMBL22157825 0.87 CYP2D6 (0.33) CA1CA2GAAHDAC6HDAC1
SCHEMBL18796463 0.86 CA12 (0.39) CA12CA1CA2CA9CYP1A2
SCHEMBL29083797 0.83 AAK1 (0.35) CA12CA1CA2CA9CYP1A2
SCHEMBL29083800 0.83 AAK1 (0.35) CA12CA1CA2CA9CYP1A2
SCHEMBL3836605 0.82 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19HTTNFKB1
SCHEMBL15290576 0.82 CA12 (0.36) CA12CA1CA2CA9CYP1A2
SCHEMBL27862436 0.81 CA12 (0.35) CA12CA1CA2CA9CYP1A2
SCHEMBL1163137 0.80 MEN1 (0.34) CA12CA1CA2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104306974-B The method of the ephrosis for the treatment of contrast agent induction 诺华股份有限公司 2017-06-13 CN disclosed
EP-2594556-B1 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2016-08-10 EP disclosed
EP-2594557-B1 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2016-08-10 EP disclosed
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
EP-2640375-B1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2016-05-18 EP disclosed
EP-2640375-B1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2016-05-18 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
CN-103313708-B Method of treating contrast-induced nephropathy NOVARTIS AG (CH) 2016-03-23 CN disclosed
WO-2012065958-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-24 WO disclosed
WO-2012065958-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-24 WO disclosed
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 US disclosed
EP-2435409-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS Novartis AG (CH) 2012-04-04 EP disclosed
WO-2010136493-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2010-12-02 WO disclosed
US-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors NOVARTIS AG (CH) 2010-12-02 US disclosed
US-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors NOVARTIS AG (CH) 2010-12-02 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 (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-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors MME, AGTR1, REN CA12 3361/4885CA1 2263/4885CA2 767/4885
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME CA12 433/4885CA1 408/4885CA2 487/4885

“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.