SCHEMBL2878286

SCHEMBL2878286

CC(C)(C)OC(=O)C(c1ccc(Br)cc1)C(N)CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.34
MME P08473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
CACNA1B Q00975 1/20 0.34
ALOX5 P09917 1/20 0.33
LDHA P00338 1/20 0.33
CYP1A2 P05177 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
POLB P06746 1/20 0.32
SLC7A5 Q01650 1/20 0.32

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
SCHEMBL1519893 0.88 FFAR1 (0.39) FNTAFNTBPOLBSLC7A5
SCHEMBL1519829 0.86 FFAR1 (0.40) CTSSCTSKKMT2AALDH1A1MAPT
SCHEMBL5558097 0.86 CYP2C9 (0.47) KMT2ACYP1A2
SCHEMBL1519753 0.84 FFAR1 (0.44) LDHAFNTAFNTB
SCHEMBL6597704 0.84 KCNA5 (0.36) KMT2AALDH1A1SLC7A5
SCHEMBL27589808 0.82 SMN1; SMN2 (0.40) CTSSCTSKNPC1RECQLRAB9A
SCHEMBL16553912 0.82 SMN1; SMN2 (0.40) CTSSCTSKNPC1RECQLRAB9A
SCHEMBL1519892 0.82 FFAR1 (0.42) SMN1; SMN2ALDH1A1
SCHEMBL1519634 0.82 APP (0.44) KMT2AMMEMAPT
SCHEMBL3901742 0.80 L3MBTL1 (0.42) CTSSCTSKNPC1RECQLRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2956445-A1 SUBSTITUTED BISPHENYL BUTANOIC ACID DERIVATIVES AS NEP INHIBITORS WITH IMPROVED IN VIVO EFFICACY Novartis AG (CH) 2015-12-23 EP disclosed
US-9102635-B2 Substituted bisphenyl butanoic acid derivatives as NEP inhibitors with improved in vivo efficacy NOVARTIS AG (CH) 2015-08-11 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-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS COPPOLA GARY MARK (US) 2014-10-02 US disclosed
US-8822534-B2 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2014-09-02 US disclosed
WO-2014126972-A1 SUBSTITUTED BISPHENYL BUTANOIC ACID DERIVATIVES AS NEP INHIBITORS WITH IMPROVED IN VIVO EFFICACY NOVARTIS AG (CH) 2014-08-21 WO disclosed
EP-2435409-B1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2014-08-13 EP disclosed
EP-2640375-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY Novartis AG (CH) 2013-09-25 EP disclosed
CN-103313708-A Method of treating contrast-induced nephropathy NOVARTIS AG 2013-09-18 CN 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-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2013-04-18 US disclosed
US-8394853-B2 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2013-03-12 US 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-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 (5 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 CTSS 730/4885CTSK 1421/4885NPC1 249/4885
US-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN CTSS 730/4885CTSK 1421/4885NPC1 249/4885
US-20140336194-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME CTSS 88/4885CTSK 179/4885NPC1 613/4885
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME CTSS 88/4885CTSK 179/4885NPC1 613/4885
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN CTSS 730/4885CTSK 1421/4885NPC1 249/4885

“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.