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
Ethyl 3-Phenylpropanoate SCHEMBL304816 0.87 TDP1 (0.75) CYP4F2CYP4A11CYP4Z1TDP1L3MBTL1
SCHEMBL10206072 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.

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