SCHEMBL4939205

SCHEMBL4939205

O=C(O)CC1CCC(c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.56
MAPT P10636 3/20 0.56
VCP P55072 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
DEGS1 O15121 1/20 0.56
MAP4K4 O95819 1/20 0.56
CYP3A4 P08684 1/20 0.56
AMY1A P0DUB6 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
MAPKAPK2 P49137 1/20 0.56
PIM3 Q86V86 1/20 0.56
MINK1 Q8N4C8 1/20 0.56
SPHK2 Q9NRA0 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SPHK1 Q9NYA1 1/20 0.56
CSNK2A2 P19784 1/20 0.53
CSNK2B P67870 1/20 0.53

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
SCHEMBL4494798 0.91 ALOX5 (0.57) ALOX5CSNK2A2CSNK2BDGAT1CYP1A1
SCHEMBL4939728 0.89 DGAT1 (0.56) ALOX5MAPTMEN1KMT2ACSNK2A2
SCHEMBL180686 0.84 DGAT1 (0.50) ALOX5MAPTMEN1KMT2ADGAT1
SCHEMBL180791 0.83 CYP1A1 (0.54) ALOX5MAPTMEN1KMT2ADGAT1
SCHEMBL27790901 0.81 ALOX5 (0.55) ALOX5MAPTVCPMEN1KMT2A
SCHEMBL180959 0.81 MEN1 (0.61) ALOX5MAPTMEN1KMT2ACYP3A4
SCHEMBL180693 0.81 MAPT (0.60) ALOX5MAPTVCPMEN1KMT2A
SCHEMBL180967 0.81 DGAT1 (0.51) ALOX5MAPTVCPMEN1KMT2A
SCHEMBL13664061 0.81 MEN1 (0.61) ALOX5MAPTMEN1KMT2ACYP3A4
SCHEMBL14617023 0.81 MEN1 (0.61) ALOX5MAPTMEN1KMT2ACYP3A4

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 ALOX5 908/4885MAPT 2141/4885VCP 2514/4885
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT ALOX5 899/4885MAPT 2157/4885VCP 2500/4885

“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.