SCHEMBL4942376

SCHEMBL4942376

O=C(O)CC1CCC(c2ccc(-c3csc(Nc4ccccc4F)n3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.53
ROCK1 Q13464 1/20 0.46
ELOVL1 Q9BW60 1/20 0.44
MEN1 O00255 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
NPY5R Q15761 1/20 0.42
ALOX5 P09917 1/20 0.42

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
SCHEMBL180686 0.89 DGAT1 (0.50) DGAT1ROCK1MEN1RAB9AKMT2A
SCHEMBL4933344 0.89 DGAT1 (0.50) DGAT1MEN1RAB9AKMT2ANPC1
SCHEMBL4939307 0.88 DGAT1 (0.50) DGAT1MEN1KMT2A
SCHEMBL27769403 0.88 DGAT1 (0.52) DGAT1RAB9A
SCHEMBL180791 0.83 CYP1A1 (0.54) DGAT1MEN1RAB9AKMT2ANPC1
SCHEMBL27790891 0.82 ROCK1 (0.45) ROCK1MEN1RAB9AKMT2ANPC1
SCHEMBL27737368 0.81 DGAT1 (0.52) DGAT1
SCHEMBL181002 0.80 DGAT1 (0.57) DGAT1
SCHEMBL4939205 0.80 ALOX5 (0.56) DGAT1MEN1RAB9AKMT2ANPC1
SCHEMBL4494798 0.80 ALOX5 (0.57) DGAT1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238581-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2012-09-20 US claimed
CN-101636155-A Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LAB 2010-01-27 CN claimed
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2008-07-31 US claimed
US-8586594-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC. (US) 2013-11-19 US disclosed
EP-2117526-B1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LAB (US) 2013-04-03 EP disclosed
US-20120238581-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2012-09-20 US disclosed
US-8202878-B2 Type 2 diabetes, obesity, elevated plasma triglycerides, metabolic syndrome, non-alcoholic steatohepatitis, and non-alcoholic fatty liver disease;Trans [4-(4-{3-[2-(1-adamantyl)-2-hydroxyethoxy]-1H-pyrazol-5-yl}phenyl)cyclohexyl]acetic acid ABBOTT LABORATORIES (US) 2012-06-19 US disclosed
CN-101636155-A Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LAB 2010-01-27 CN disclosed
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2008-07-31 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 (2 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-20120238581-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT DGAT1 1/4885ROCK1 1057/4885ELOVL1 214/4885
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT DGAT1 1/4885ROCK1 1062/4885ELOVL1 211/4885

“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.