SCHEMBL781869

SCHEMBL781869

CC(C)(C)OC(=O)C(NS(=O)(=O)c1cccc(C(=O)O)c1)C1CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.43
MMP1 P03956 5/20 0.43
MMP3 P08254 5/20 0.43
MMP7 P09237 5/20 0.43
MMP2 P08253 4/20 0.43
MMP9 P14780 3/20 0.43
MMP8 P22894 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
AKR1C3 P42330 1/20 0.41
HTR2B P41595 1/20 0.41
CYP2C19 P33261 1/20 0.41
PLAU P00749 1/20 0.41

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
SCHEMBL781872 0.91 ALDH1A1 (0.45) MMP13MMP1MMP3MMP7MMP2
SCHEMBL26144915 0.79 KMT2A (0.53) ALDH1A1LMNAKMT2ACA1CA2
SCHEMBL15753384 0.78 HDAC8 (0.55) ALDH1A1KMT2ACA1CA2F2
SCHEMBL24170489 0.76 ALDH1A1 (0.55) ALDH1A1LMNAKMT2ACA1CA2
SCHEMBL7691554 0.76 CYP2C19 (0.45) KMT2ACA1CA2F2PRSS1
SCHEMBL13543487 0.75 CA1 (0.62) KMT2ACA1CA2F2PRSS1
SCHEMBL7685704 0.74 CYP2C19 (0.44) MMP2MMP9CA1CA2F2
SCHEMBL26144918 0.74 KMT2A (0.55) ALDH1A1LMNAKMT2ACA1CA2
SCHEMBL27802295 0.73 CA1 (0.54) KMT2ACA1CA2F2PRSS1
SCHEMBL26144898 0.72 LMNA (0.71) ALDH1A1LMNAKMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2012035158-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 WO disclosed
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 US 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 MMP13 4806/4885MMP1 3974/4885MMP3 4647/4885
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A MMP13 4806/4885MMP1 3974/4885MMP3 4647/4885
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A MMP13 4806/4885MMP1 3974/4885MMP3 4647/4885
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A MMP13 4806/4885MMP1 3974/4885MMP3 4647/4885

“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.