SCHEMBL3701134

SCHEMBL3701134

CCOC(=O)[C@H](C)NC(Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 15/20 0.59
ACE2 Q9BYF1 11/20 0.54
ACE P12821 11/20 0.54
CPA1 P15085 9/20 0.54
MMEL1 Q495T6 1/20 0.48
MMP8 P22894 1/20 0.47
SRR Q9GZT4 1/20 0.47
PSAT1 Q9Y617 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGAV P06756 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
SCHEMBL3701132 1.00 MME (0.59) MMEACE2ACECPA1MMEL1
SCHEMBL22616430 0.88 MME (0.66) MMEACEMMEL1ITGB3ITGAV
SCHEMBL1768180 0.88 MME (0.66) MMEACEMMEL1ITGB3ITGAV
SCHEMBL1768183 0.88 MME (0.66) MMEACEMMEL1ITGB3ITGAV
SCHEMBL15608113 0.84 MME (0.54) MMEACE2ACECPA1MMEL1
SCHEMBL11310430 0.84 MME (0.54) MMEACE2ACECPA1MMEL1
SCHEMBL4367118 0.82 CA2 (0.47) ACE
SCHEMBL5219151 0.82 CA2 (0.47) ACE
SCHEMBL4363617 0.82 CA2 (0.47) ACE
SCHEMBL4371582 0.82 CA2 (0.47) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2735561-B1 Substituted carbamoylmethoxyacetic acid derivatives as novel NEP inhibitors NOVARTIS AG (CH) 2016-07-20 EP disclosed
EP-2640375-B1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2016-05-18 EP disclosed
US-8993631-B2 Method of treating contrast-induced nephropathy NOVARTIS AG (CH) 2015-03-31 US disclosed
US-8877786-B2 Substituted carbamoylmethylamino acetic acid derivatives as novel NEP inhibitors NOVARTIS AG (CH) 2014-11-04 US disclosed
EP-2735561-A1 Substituted carbamoylmethylamino acetic acid derivatives as novel NEP inhibitors Novartis AG (CH) 2014-05-28 EP disclosed
US-20140088165-A1 Substituted carbamoylmethylamino acetic acid derivatives as novel NEP inhibitors NOVARTIS AG (CH) 2014-03-27 US disclosed
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 US disclosed
WO-2011061271-A1 SUBSTITUTED CARBAMOYLMETHYLAMINO ACETIC ACID DERIVATIVES AS NOVEL NEP INHIBITORS NOVARTIS AG (CH) 2011-05-26 WO 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-20140088165-A1 Substituted carbamoylmethylamino acetic acid derivatives as novel NEP inhibitors MME, REN, AGTR1 MME 1/4885ACE2 12/4885ACE 4/4885
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME MME 3/4885ACE2 220/4885ACE 92/4885

“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.