SCHEMBL5537182

SCHEMBL5537182

COC(=O)Cc1ccc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
LIPG Q9Y5X9 3/20 0.40
HIF1A Q16665 2/20 0.39
CHEK1 O14757 3/20 0.38
LPL P06858 2/20 0.37
DGAT1 O75907 1/20 0.36
F11 P03951 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
PDK2 Q15119 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL5538639 0.86 CHEK1 (0.43) CYP4F2CYP4A11LIPGHIF1ACHEK1
SCHEMBL5538625 0.86 ROCK1 (0.43) CYP4F2CYP4A11LIPGHIF1ACHEK1
SCHEMBL481948 0.83 LIPG (0.53) CYP4F2CYP4A11LIPGHIF1ALPL
SCHEMBL5537241 0.81 CYP4F2 (0.41) CYP4F2CYP4A11LIPGHIF1ALPL
SCHEMBL29536974 0.81 AAK1 (0.44) AAK1LIPGHIF1ALPLDGAT1
SCHEMBL2390665 0.81 AAK1 (0.44) AAK1LIPGHIF1ALPLDGAT1
SCHEMBL2134378 0.79 PDK2 (0.39) CYP4F2CYP4A11AAK1LIPGHIF1A
SCHEMBL14712137 0.78 AAK1 (0.38) AAK1LIPGHIF1ALPLDGAT1
SCHEMBL5532641 0.77 ROCK1 (0.40) CYP4F2CYP4A11LIPGHIF1ACHEK1
SCHEMBL5536200 0.76 CYP4F2 (0.50) CYP4F2CYP4A11DGAT1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234978-B1 CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 ASTRAZENECA AB (SE) 2015-02-25 EP disclosed
US-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 US disclosed
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 US disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 US disclosed
WO-2009081195-A1 CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 ASTRAZENECA AB (SE) 2009-07-02 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-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 CYP4F2 543/4885CYP4A11 1335/4885AAK1 2238/4885
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 CYP4F2 548/4885CYP4A11 1373/4885AAK1 2267/4885

“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.