SCHEMBL782653

SCHEMBL782653

COC(=O)c1cccc(S(=O)(=O)NCCC(=O)OC(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.53
TMPRSS6 Q8IU80 4/20 0.53
ALDH1A1 P00352 1/20 0.50
MEP1B Q16820 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP2C19 P33261 1/20 0.48
AKR1C3 P42330 4/20 0.47
ACLY P53396 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.44
SLC40A1 Q9NP59 1/20 0.44

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
SCHEMBL781932 0.89 MEP1B (0.64) F2TMPRSS6ALDH1A1MEP1BCYP2C19
SCHEMBL7667753 0.88 F2 (0.52) F2TMPRSS6ALDH1A1MEP1BCYP2C19
SCHEMBL7650172 0.83 PRMT1 (0.52) F2TMPRSS6ALDH1A1MEP1BCYP2C19
SCHEMBL22557351 0.81 CYP2C19 (0.56) ALDH1A1MEP1BNPC1RAB9ACYP2C19
SCHEMBL7671455 0.80 ACLY (0.41) F2TMPRSS6ALDH1A1ACLYSLC40A1
SCHEMBL28258569 0.79 CYP2C19 (0.53) F2ALDH1A1MEP1BNPC1RAB9A
SCHEMBL26733221 0.78 KMT2A (0.56) ALDH1A1MEP1BNPC1RAB9ACYP2C19
SCHEMBL26731616 0.78 CYP2C19 (0.52) ALDH1A1MEP1BNPC1RAB9ACYP2C19
SCHEMBL7674833 0.77 ACLY (0.43) F2TMPRSS6ALDH1A1ACLYSLC40A1
SCHEMBL7670718 0.77 MMP2 (0.48) F2TMPRSS6ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105440032-B Pyrazines derivatives as ENAC blocking agents 诺华股份有限公司 2017-12-08 CN disclosed
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2017-05-25 US disclosed
US-9522149-B2 Pyrazine derivatives as ENaC blockers NOVARTIS AG (CH) 2016-12-20 US disclosed
CN-105440032-A PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG 2016-03-30 CN disclosed
CN-103249723-B Pyrazine derivatives as ENAC blockers NOVARTIS AG (CH) 2015-11-25 CN disclosed
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2015-08-13 US disclosed
US-9050339-B2 Pyrazine derivatives as ENaC blockers NOVARTIS AG (CH) 2015-06-09 US disclosed
EP-2616447-B1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2015-02-18 EP disclosed
US-20140113914-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2014-04-24 US disclosed
CN-103249723-A Pyrazine derivatives as enac blockers NOVARTIS AG 2013-08-14 CN disclosed
EP-2616447-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS Novartis AG (CH) 2013-07-24 EP disclosed
US-8372845-B2 Pyrazine derivatives as enac blockers NOVARTIS AG (CH) 2013-02-12 US disclosed
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 US disclosed
WO-2012035158-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 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 (4 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-20140113914-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A F2 2273/4885TMPRSS6 1010/4885ALDH1A1 2428/4885
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A F2 2273/4885TMPRSS6 1010/4885ALDH1A1 2428/4885
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A F2 2273/4885TMPRSS6 1010/4885ALDH1A1 2428/4885
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A F2 2273/4885TMPRSS6 1010/4885ALDH1A1 2428/4885

“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.