SCHEMBL5532641

SCHEMBL5532641

COC(=O)Cc1ccc(-c2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.40
LIPG Q9Y5X9 3/20 0.40
LPL P06858 2/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
HIF1A Q16665 1/20 0.36
PDGFRB P09619 2/20 0.36
KDR P35968 2/20 0.36
CHEK1 O14757 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
F11 P03951 2/20 0.35
DGAT1 O75907 1/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35

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
SCHEMBL5537241 0.88 CYP4F2 (0.41) LIPGLPLCYP4F2CYP4A11ALDH1A1
SCHEMBL5538625 0.86 ROCK1 (0.43) ROCK1LIPGLPLCYP4F2CYP4A11
SCHEMBL2134378 0.83 PDK2 (0.39) ROCK1LIPGLPLCYP4F2CYP4A11
SCHEMBL481948 0.82 LIPG (0.53) LIPGLPLCYP4F2CYP4A11ALDH1A1
SCHEMBL24410561 0.81 ROCK1 (0.46) ROCK1LIPGLPLALDH1A1GAA
SCHEMBL3802936 0.80 CYP11B1 (0.46) LIPGLPLCYP4F2CYP4A11ALDH1A1
SCHEMBL21174194 0.79 HSP90AB1 (0.43) ROCK1LIPGLPLCYP4F2CYP4A11
SCHEMBL16519615 0.78 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL5533783 0.78 HSP90AB1 (0.56) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL136786 0.78 GAA (0.43) ROCK1CYP4F2CYP4A11ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ROCK1 2033/4885LIPG 1215/4885LPL 250/4885
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 ROCK1 2096/4885LIPG 1190/4885LPL 254/4885

“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.