SCHEMBL2873249

SCHEMBL2873249

COc1ccccc1-c1ccc(CC(CC(=O)O)NC(=O)c2nn[nH]n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MMEL1 Q495T6 8/20 0.74
▸ MME P08473 10/20 0.63
▸ ITGB1 P05556 2/20 0.52
▸ ITGA4 P13612 2/20 0.52
▸ XDH P47989 1/20 0.47

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
SCHEMBL2873241 1.00 MMEL1 (0.74) MMEL1MMEITGB1ITGA4XDH
SCHEMBL2865977 0.80 MME (0.61) MMEL1MMEITGB1ITGA4
SCHEMBL14959402 0.79 MME (0.63) MMEL1MMEITGB1ITGA4
SCHEMBL2875506 0.78 MME (1.00) MMEL1MME
SCHEMBL2875501 0.78 MME (1.00) MMEL1MME
SCHEMBL2875145 0.78 MMEL1 (0.82) MMEL1MME
SCHEMBL2875152 0.78 MMEL1 (0.82) MMEL1MME
SCHEMBL2878314 0.77 MMEL1 (0.74) MMEL1MMEITGB1ITGA4
SCHEMBL2875080 0.77 MMEL1 (1.00) MMEL1MME
SCHEMBL2875091 0.77 MMEL1 (1.00) MMEL1MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS COPPOLA GARY MARK (US) 2014-10-02 — — US disclosed
EP-2435409-B1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2014-08-13 — — EP disclosed
EP-2594557-A1 Substituted aminopropionic derivatives as neprilysin inhibitors Novartis AG (CH) 2013-05-22 — — EP disclosed
EP-2594556-A1 Substituted aminopropionic derivatives as neprilysin inhibitors Novartis AG (CH) 2013-05-22 — — EP 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 (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 MMEL1 299/4885MME 1/4885ITGB1 2849/4885
US-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN MMEL1 299/4885MME 1/4885ITGB1 2849/4885

“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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