SCHEMBL781871

SCHEMBL781871

COC(=O)c1cccc(S(=O)(=O)NCC2(C(=O)OC(C)(C)C)CCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.42
TMPRSS6 Q8IU80 3/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
AKR1C3 P42330 1/20 0.41
STAT3 P40763 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40
ACLY P53396 2/20 0.39
TCF4 P15884 1/20 0.39
CTNNB1 P35222 1/20 0.39
LOX P28300 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL781868 0.91 CYP2C19 (0.49) F2ALDH1A1AKR1C3SMN1; SMN2KMT2A
SCHEMBL7667753 0.78 F2 (0.52) F2TMPRSS6ALDH1A1HPGDAKR1C3
SCHEMBL782653 0.76 F2 (0.53) F2TMPRSS6ALDH1A1AKR1C3SLC40A1
SCHEMBL781872 0.71 ALDH1A1 (0.45) ALDH1A1STAT3KDM4EKMT2ASLC40A1
SCHEMBL22557351 0.71 CYP2C19 (0.56) ALDH1A1HPGDAKR1C3KMT2ASLC40A1
SCHEMBL11278869 0.70 SLC40A1 (0.56) F2ALDH1A1HPGDKDM4EKMT2A
SCHEMBL782654 0.69 SMN1; SMN2 (0.44) ALDH1A1STAT3SMN1; SMN2KDM4EKMT2A
SCHEMBL28258569 0.69 CYP2C19 (0.53) F2ALDH1A1AKR1C3SLC40A1LMNA
SCHEMBL19489940 0.69 TSHR (0.53) ALDH1A1HPGDAKR1C3SMN1; SMN2KDM4E
SCHEMBL3476507 0.69 TDP1 (0.60) ALDH1A1HPGDKDM4EKMT2ASLC40A1

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.