SCHEMBL1134534

SCHEMBL1134534

COC(=O)C(CCCc1ccc(OC)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.53
PPARA Q07869 1/20 0.53
CACNA1B Q00975 2/20 0.50
CTSK P43235 4/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
CTSS P25774 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 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
SCHEMBL29926204 0.90 ITGB3 (0.48) PPARGPPARACACNA1BCTSKITGB3
SCHEMBL1134521 0.89 PPARG (0.52) PPARGPPARACACNA1BCTSKITGB3
SCHEMBL25312195 0.89 CTSK (0.52) PPARGPPARACTSKCTSS
SCHEMBL27301122 0.89 ITGB3 (0.53) CTSKTAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL7300194 0.88 CTSK (0.60) PPARGPPARACTSKCTSSMMP1
SCHEMBL12251763 0.87 CTSK (0.47) PPARGPPARACTSKITGB3ITGA2B
SCHEMBL25309327 0.87 ITGB3 (0.51) PPARGPPARACACNA1BCTSKITGB3
SCHEMBL31725718 0.86 ITGB3 (0.45) PPARGPPARACACNA1BCTSKITGB3
SCHEMBL5408845 0.85 PPARG (0.57) PPARGPPARACACNA1BCTSKITGB3
SCHEMBL5408855 0.85 PPARG (0.57) PPARGPPARACACNA1BCTSKITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664228-B2 3,5-diamino-6-chloro-pyrazine-2-carboxylic acid derivatives and their use as epithelial sodium channel blockers for the treatment of airway diseases NOVARTIS AG (CH) 2014-03-04 US disclosed
EP-2285785-B1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES NOVARTIS AG (CH) 2012-09-05 EP disclosed
US-20110059989-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF AIRWAY DISEASES NOVARTIS AG (CH) 2011-03-10 US disclosed
EP-2285785-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES Novartis AG (CH) 2011-02-23 EP disclosed
WO-2009138378-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES NOVARTIS AG (CH) 2009-11-19 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 (1 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-20110059989-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF AIRWAY DISEASES CFTR, SCN5A, SCNN1B PPARG 1396/4885PPARA 1727/4885CACNA1B 82/4885

“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.