SCHEMBL10197740

SCHEMBL10197740

CCOC(=O)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1ccc(N[S+](C)[O-])nc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMEL1 Q495T6 5/20 0.48
▸ MME P08473 11/20 0.47
▸ ITGB3 P05106 1/20 0.40
▸ ITGAV P06756 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ RPS6KA5 O75582 1/20 0.40
▸ RPS6KA4 O75676 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ IRAK1 P51617 1/20 0.40
▸ PRKX P51817 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ PRKG1 Q13976 1/20 0.40
▸ PKN2 Q16513 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ SGK2 Q9HBY8 1/20 0.40
▸ GABRA5 P31644 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
SCHEMBL14870603 0.91 MMEL1 (0.54) MMEL1MME
SCHEMBL14959424 0.89 MMEL1 (0.60) MMEL1MMEITGB3ITGAVROCK2
SCHEMBL12975080 0.85 MMEL1 (0.48) MMEL1MMEROCK2RPS6KA5RPS6KA4
SCHEMBL12975299 0.84 MMEL1 (0.53) MMEL1MMEROCK2RPS6KA5RPS6KA4
SCHEMBL12975116 0.83 MMEL1 (0.52) MMEL1MMEROCK2RPS6KA5RPS6KA4
SCHEMBL2875477 0.82 MMEL1 (0.55) MMEL1MMEROCK2RPS6KA5RPS6KA4
SCHEMBL2875473 0.82 MMEL1 (0.55) MMEL1MMEROCK2RPS6KA5RPS6KA4
SCHEMBL12975017 0.81 MMEL1 (0.54) MMEL1MME
SCHEMBL14959422 0.81 MMEL1 (0.59) MMEL1MME
SCHEMBL12974968 0.78 MMEL1 (0.50) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993631-B2 Method of treating contrast-induced nephropathy NOVARTIS AG (CH) 2015-03-31 — — US disclosed
US-8993631-B2 Method of treating contrast-induced nephropathy NOVARTIS AG (CH) 2015-03-31 — — US disclosed
US-20140336194-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2014-11-13 — — US disclosed
US-20140336194-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2014-11-13 — — US 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
EP-2435409-B1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2014-08-13 — — EP 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-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 — — 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-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN MMEL1 299/4885MME 1/4885ITGB3 2759/4885
US-20140336194-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME MMEL1 118/4885MME 3/4885ITGB3 970/4885
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME MMEL1 118/4885MME 3/4885ITGB3 970/4885

“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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