SCHEMBL783355

SCHEMBL783355

CC(C)(C)OC(=O)COc1ccc(CCC(=O)OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.52
FFAR4 Q5NUL3 2/20 0.52
GAA P10253 2/20 0.52
POLB P06746 2/20 0.52
CYP2C19 P33261 1/20 0.52
PTPN1 P18031 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.44
LTA4H P09960 1/20 0.44
PLA2G4B P0C869 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
SCHEMBL12697639 0.88 ALDH1A1 (0.59) POLBPTPN1MEN1KMT2AMAPT
SCHEMBL8550447 0.85 ABCB1 (0.57) FFAR1FFAR4GAAMEN1KMT2A
SCHEMBL782070 0.84 FFAR1 (0.64) FFAR1FFAR4GAAPOLBMEN1
SCHEMBL1586865 0.83 LMNA (0.57) FFAR1FFAR4GAAPOLBCYP2C19
SCHEMBL7276062 0.83 FFAR1 (0.74) FFAR1FFAR4CYP2C19TDP1LTA4H
SCHEMBL1968491 0.82 KMT2A (0.55) GAAPTPN1MEN1KMT2ATDP1
SCHEMBL9078410 0.82 ALDH1A1 (0.62) FFAR1FFAR4TDP1MAPT
SCHEMBL781733 0.82 FFAR4 (0.45) FFAR1FFAR4CYP2C19MEN1KMT2A
SCHEMBL8626583 0.82 ABCB1 (0.54) FFAR1FFAR4GAAMEN1KMT2A
SCHEMBL5947113 0.82 FFAR1 (0.66) FFAR1FFAR4

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 10 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
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
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 FFAR1 1050/4885FFAR4 1905/4885GAA 4572/4885
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A FFAR1 1050/4885FFAR4 1905/4885GAA 4572/4885
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A FFAR1 1050/4885FFAR4 1905/4885GAA 4572/4885
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A FFAR1 1050/4885FFAR4 1905/4885GAA 4572/4885

“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.