SCHEMBL1587300

SCHEMBL1587300

CCOC(=O)CCc1ccc(CCC(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.74
CYP4A11 Q02928 2/20 0.74
CYP4Z1 Q86W10 3/20 0.61
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
FFAR1 O14842 5/20 0.55
KEAP1 Q14145 1/20 0.53
CYP4F11 Q9HBI6 1/20 0.51
CYP4F12 Q9HCS2 1/20 0.51
HRH3 Q9Y5N1 1/20 0.49
ALOX5 P09917 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
Ethyl 3-Phenylpropanoate SCHEMBL311047 0.93 TDP1 (0.68) CYP4F2CYP4A11CYP4Z1TDP1L3MBTL1
SCHEMBL68902 0.92 CYP4F2 (0.85) CYP4F2CYP4A11CYP4Z1TDP1LMNA
Ethyl 3-Phenylpropanoate SCHEMBL8614481 0.91 TDP1 (0.66) CYP4F2CYP4A11CYP4Z1TDP1L3MBTL1
Ethyl 3-Phenylpropanoate SCHEMBL27562389 0.90 CYP4F2 (0.66) CYP4F2CYP4A11CYP4Z1TDP1L3MBTL1
SCHEMBL27819642 0.89 CYP4F2 (0.60) CYP4F2CYP4A11CYP4Z1TDP1LMNA
Methane SCHEMBL11322506 0.88 CYP4F2 (0.58) CYP4F2CYP4A11CYP4Z1TDP1LMNA
SCHEMBL10206072 0.87 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1TDP1LMNA
SCHEMBL363982 0.87 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1TDP1LMNA
SCHEMBL879130 0.87 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1TDP1LMNA
SCHEMBL11437256 0.87 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2444120-B1 Spirocyclic amiloride analogues as ENac blockers NOVARTIS AG (CH) 2017-09-27 EP disclosed
US-9643983-B2 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2017-05-09 US disclosed
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2016-03-10 US disclosed
US-9139586-B2 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2015-09-22 US disclosed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 US disclosed
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMACEUTICALS INCORPORATED 2015-06-04 US disclosed
EP-2813227-A1 Compositions for treatment of cystic fibrosis and other chronic diseases Vertex Pharmaceuticals Incorporated (US) 2014-12-17 EP disclosed
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2014-11-06 US disclosed
CN-101939054-B organic compounds NOVARTIS AG (CH) 2014-10-29 CN disclosed
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2014-06-19 US disclosed
EP-2490687-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorporated (US) 2012-08-29 EP disclosed
EP-2444120-A1 Spirocyclic amiloride analogues as ENac blockers Novartis AG (CH) 2012-04-25 EP disclosed
US-8039472-B2 Pyrazine-2-carboxamide derivatives to treat diseases mediated by blockade of the epithelial sodium channel NOVARTIS AG (CH) 2011-10-18 US disclosed
US-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2011-09-29 US disclosed
WO-2011050325-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-28 WO disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
CN-101939054-A Organic compounds NOVARTIS AG 2011-01-05 CN disclosed
EP-2231280-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-09-29 EP disclosed
US-20100130506-A1 Organic Compounds NOVARTIS AG 2010-05-27 US disclosed
WO-2009074575-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-18 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 (8 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-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 CYP4F2 1493/4885CYP4A11 1023/4885CYP4Z1 3833/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 CYP4F2 1493/4885CYP4A11 1023/4885CYP4Z1 3833/4885
US-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives SCNN1B, SCNN1A, SCNN1G CYP4F2 1887/4885CYP4A11 1207/4885CYP4Z1 3549/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G CYP4F2 1887/4885CYP4A11 1207/4885CYP4Z1 3549/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 CYP4F2 1493/4885CYP4A11 1023/4885CYP4Z1 3833/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E CYP4F2 1840/4885CYP4A11 356/4885CYP4Z1 2991/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 CYP4F2 1493/4885CYP4A11 1023/4885CYP4Z1 3833/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G CYP4F2 1887/4885CYP4A11 1207/4885CYP4Z1 3549/4885

“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.