SCHEMBL781750

SCHEMBL781750

CC(C)(C)OC(=O)COc1ccc(CCC(=O)O)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.50
PPARG P37231 2/20 0.50
CYP2C19 P33261 1/20 0.50
FFAR1 O14842 7/20 0.47
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.45
PPARA Q07869 1/20 0.44
ADRB3 P13945 4/20 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
SCHEMBL781733 0.85 FFAR4 (0.45) FFAR4CYP2C19FFAR1ITGB1ITGA4
SCHEMBL28694748 0.80 TDP1 (0.62) CYP2C19TDP1TSHR
SCHEMBL1586865 0.79 LMNA (0.57) FFAR4CYP2C19FFAR1
SCHEMBL16742608 0.78 CYP2C19 (0.49) CYP2C19TDP1TSHR
SCHEMBL20063716 0.78 KMT2A (0.59) CYP2C19TDP1TSHR
SCHEMBL1207379 0.77 FFAR1 (0.57) FFAR4PPARGFFAR1PPARA
SCHEMBL31037719 0.76 RXRA (0.44) FFAR4PPARGFFAR1
Hydrochloric Acid SCHEMBL1375864 0.76 FFAR1 (0.56) FFAR4PPARGFFAR1PPARA
SCHEMBL16741041 0.75 KMT2A (0.57) TSHR
SCHEMBL16741108 0.75 POLB (0.47) CYP2C19TDP1TSHR

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 26 patents — showing the first 20. 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-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2017-05-25 US 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
US-9522149-B2 Pyrazine derivatives as ENaC blockers NOVARTIS AG (CH) 2016-12-20 US disclosed
US-9522149-B2 Pyrazine derivatives as ENaC blockers NOVARTIS AG (CH) 2016-12-20 US disclosed
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2015-08-13 US disclosed
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2015-08-13 US 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
US-20140113914-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2014-04-24 US 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-8372845-B2 Pyrazine derivatives as enac blockers NOVARTIS AG (CH) 2013-02-12 US 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
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
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 US 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 FFAR4 1905/4885PPARG 2075/4885CYP2C19 1366/4885
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A FFAR4 1905/4885PPARG 2075/4885CYP2C19 1366/4885
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A FFAR4 1905/4885PPARG 2075/4885CYP2C19 1366/4885
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A FFAR4 1905/4885PPARG 2075/4885CYP2C19 1366/4885

“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.