SCHEMBL2524682

SCHEMBL2524682

CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
ACLY P53396 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
PYCR1 P32322 1/20 0.33
LPL P06858 5/20 0.33
LIPG Q9Y5X9 5/20 0.33
UCHL1 P09936 1/20 0.32
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CA1 P00915 3/20 0.30
CA2 P00918 3/20 0.30
CA9 Q16790 3/20 0.30
CA12 O43570 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL2522891 0.81 LPL (0.36) DGAT1LPLLIPGUCHL1CA1
SCHEMBL2520920 0.80 ALDH1A1 (0.42) DGAT1PYCR1LPLLIPGUCHL1
SCHEMBL2520419 0.78 KMT2A (0.38) DGAT1LPLLIPGSLC6A2SLC6A4
SCHEMBL22982573 0.78 LPL (0.39) PYCR1LPLLIPGUCHL1
SCHEMBL29531067 0.78 LPL (0.39) PYCR1LPLLIPGUCHL1
SCHEMBL2699203 0.75 LIPG (0.39) LPLLIPGUCHL1
SCHEMBL19336172 0.74 LIPG (0.51) LPLLIPGUCHL1
SCHEMBL25295838 0.74 LMNA (0.41) CA1CA2CA9CA12CA3
SCHEMBL2522091 0.73 PYGL (0.37) UCHL1
SCHEMBL17261770 0.72 LPL (0.37) LPLLIPGUCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251173-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-10-13 US disclosed
US-20110251173-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-10-13 US disclosed
US-20110251173-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-10-13 US disclosed
WO-2011121350-A1 4 -AMINO -7,8- DIHYDROPYRIMIDO [5, 4 - F] [1, 4] OXAZEPIN- 5 ( 6H) - ONE BASED DGAT1 INHIBITORS ASTRAZENECA AB (SE) 2011-10-06 WO disclosed
WO-2011121350-A1 4 -AMINO -7,8- DIHYDROPYRIMIDO [5, 4 - F] [1, 4] OXAZEPIN- 5 ( 6H) - ONE BASED DGAT1 INHIBITORS ASTRAZENECA AB (SE) 2011-10-06 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 (1 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-20110251173-A1 CHEMICAL COMPOUNDS DGAT1, DGAT2, SLC5A1 DGAT1 1/4885ACLY 949/4885DRD2 290/4885

“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.