SCHEMBL4494798

SCHEMBL4494798

O=C(O)CC1CCC(c2ccc(-c3csc(Nc4cc(Cl)cc(Cl)c4)n3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.57
DGAT1 O75907 11/20 0.51
CYP1A1 P04798 3/20 0.51
CYP1A2 P05177 3/20 0.51
CYP1B1 Q16678 3/20 0.51
SOAT1 P35610 1/20 0.48
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47

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
SCHEMBL4939728 0.92 DGAT1 (0.56) ALOX5DGAT1SOAT1CSNK2A2CSNK2B
SCHEMBL4939205 0.91 ALOX5 (0.56) ALOX5DGAT1CYP1A1CYP1A2CYP1B1
SCHEMBL180791 0.84 CYP1A1 (0.54) ALOX5DGAT1CYP1A1CYP1A2CYP1B1
SCHEMBL180686 0.83 DGAT1 (0.50) ALOX5DGAT1
SCHEMBL14617023 0.82 MEN1 (0.61) ALOX5DGAT1CYP1A1CYP1A2CYP1B1
SCHEMBL180693 0.82 MAPT (0.60) ALOX5DGAT1SOAT1
SCHEMBL180959 0.82 MEN1 (0.61) ALOX5DGAT1CYP1A1CYP1A2CYP1B1
SCHEMBL13664061 0.82 MEN1 (0.61) ALOX5DGAT1CYP1A1CYP1A2CYP1B1
SCHEMBL180967 0.82 DGAT1 (0.51) ALOX5DGAT1
SCHEMBL27737368 0.80 DGAT1 (0.52) DGAT1SOAT1

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 11 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
EP-2117526-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2009-11-18 EP claimed
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2008-07-31 US claimed
WO-2008067257-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-06-05 WO 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
EP-2117526-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2009-11-18 EP disclosed
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2008-07-31 US disclosed
WO-2008067257-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-06-05 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 (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 ALOX5 908/4885DGAT1 1/4885CYP1A1 603/4885
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT ALOX5 899/4885DGAT1 1/4885CYP1A1 631/4885

“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.