SCHEMBL589349

SCHEMBL589349

CCCOC(=O)CCCCCOC(C)=O

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.62
ALDH1A1 P00352 2/20 0.57
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
NAAA Q02083 1/20 0.52
DNM1 Q05193 1/20 0.51
HTR2C P28335 1/20 0.50
PAM P19021 2/20 0.47
PRKCA P17252 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHX2 P34913 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
SCHEMBL4334518 0.92 DGKA (0.74) DGKAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL1681496 0.92 ALDH1A1 (0.69) DGKAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL3502294 0.92 DGKA (0.74) DGKAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL18675745 0.92 DGKA (0.74) DGKAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL13347191 0.92 DGKA (0.74) DGKAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL26238726 0.92 DGKA (0.74) DGKAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL16201842 0.90 ALDH1A1 (0.56) DGKAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL13572526 0.89 DGKA (0.57) DGKAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL31126278 0.88 DGKA (0.80) DGKAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL31493856 0.88 DGKA (0.80) DGKAALDH1A1PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120116093-A1 ONE POT PROCESS FOR PREPARING 2-BUTYL-3-[[2'-(1H-TETRAZOL-5-YL)[1,1'-BIPHENYL]-4-YL]METHYL]-1,3-DIAZASPIRO [4, 4] NON-1-EN-4-ONE (IRBESARTAN) CTX Life Sciences Pvt. Ltd (IN) 2012-05-10 US claimed
EP-2417110-A2 A ONE POT PROCESS FOR PREPARING 2-BUTYL-3-[[2'-(1H-TETRAZOL-5-YL)[1,1'-BIPHENYL]-4-YL]METHYL]-1,3-DIAZASPIRO [4, 4]NON-1-EN-4-ONE (IRBESARTAN) CTX Life Sciences Pvt. Ltd. (IN) 2012-02-15 EP claimed
WO-2010116380-A2 A ONE POT PROCESS FOR PREPARING 2-BUTYL-3-[[2'-(1H-TETRAZOL-5-YL)[1,1'-BIPHENYL]-4-YL]METHYL]-1,3-DIAZASPIRO [4, 4] NON-1-EN-4-ONE (IRBESARTAN) CTX LIFE SCIENCES PVT. LTD. (IN) 2010-10-14 WO claimed

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-20120116093-A1 ONE POT PROCESS FOR PREPARING 2-BUTYL-3-[[2'-(1H-TETRAZOL-5-YL)[1,1'-BIPHENYL]-4-YL]METHYL]-1,3-DIAZASPIRO [4, 4] NON-1-EN-4-ONE (IRBESARTAN) PKD1, AGTR1, NPR1 DGKA 3706/4885ALDH1A1 1302/4885PRSS1 3047/4885

“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.