SCHEMBL1135502

SCHEMBL1135502

OCCCc1ccc(OC[C@@H](O)CO)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.54
▸ EPHX2 P34913 1/20 0.54
▸ ADRB2 P07550 7/20 0.48
▸ ADRB1 P08588 5/20 0.48
▸ NR3C1 P04150 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ CYP2J2 P51589 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ ADRB3 P13945 3/20 0.48
▸ AR P10275 1/20 0.48
▸ S1PR1 P21453 1/20 0.47
▸ PPARA Q07869 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL1135505 1.00 LTA4H (0.54) LTA4HEPHX2ADRB2ADRB1NR3C1
SCHEMBL1587135 0.95 AR (0.50) LTA4HEPHX2ADRB2ADRB1NR3C1
SCHEMBL1587139 0.95 AR (0.50) LTA4HEPHX2ADRB2ADRB1NR3C1
SCHEMBL10755870 0.89 ADRB2 (0.50) ADRB2ADRB1NR3C1CYP2D6ADRA1A
SCHEMBL15275628 0.89 ADRB2 (0.50) ADRB2ADRB1NR3C1CYP2D6ADRA1A
SCHEMBL11980604 0.87 S1PR1 (0.58) ADRB2ADRB1NR3C1CYP2D6ADRA1A
SCHEMBL2328950 0.85 AR (0.48) ADRB2ADRB1ADRB3ARS1PR1
SCHEMBL2361313 0.85 AR (0.48) ADRB2ADRB1ADRB3ARS1PR1
SCHEMBL12442095 0.85 S1PR1 (0.64) ADRB2ADRB1ADRB3ARS1PR1
SCHEMBL2332175 0.85 AR (0.48) ADRB2ADRB1ADRB3ARS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2231280-B1 Amiloride-like Pyrazine-carboxamides as ENaC blockers NOVARTIS AG (CH) 2016-08-10 — — EP 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-2300010-B1 PYRAZINE DERIVATIVES AS EPITHELIAL SODIUM CHANNEL BLOCKERS NOVARTIS AG (CH) 2015-03-04 — — EP 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
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
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
EP-2300010-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-03-30 — — EP disclosed
US-20110059989-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF AIRWAY DISEASES NOVARTIS AG (CH) 2011-03-10 — — US disclosed
EP-2285785-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES Novartis AG (CH) 2011-02-23 — — EP 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-2009150137-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 — — WO disclosed
WO-2009138378-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES NOVARTIS AG (CH) 2009-11-19 — — WO 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 LTA4H 410/4885EPHX2 1166/4885ADRB2 552/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 LTA4H 410/4885EPHX2 1166/4885ADRB2 552/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G LTA4H 1723/4885EPHX2 2595/4885ADRB2 219/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 LTA4H 410/4885EPHX2 1166/4885ADRB2 552/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E LTA4H 1668/4885EPHX2 3048/4885ADRB2 314/4885
US-20110059989-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF AIRWAY DISEASES CFTR, SCN5A, SCNN1B LTA4H 1184/4885EPHX2 1373/4885ADRB2 160/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 LTA4H 410/4885EPHX2 1166/4885ADRB2 552/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G LTA4H 1723/4885EPHX2 2595/4885ADRB2 219/4885

“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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