SCHEMBL2523924

SCHEMBL2523924

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
IDO1 P14902 2/20 0.35
DRD2 P14416 3/20 0.35
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34

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
SCHEMBL2523277 0.95 AAK1 (0.39) AAK1CA1CA2PRMT5WDR77
SCHEMBL2522895 0.89 AAK1 (0.40) AAK1PRMT5WDR77IDO1CTSL
SCHEMBL2526408 0.87 RAB9A (0.35)
SCHEMBL2520435 0.81 CA1 (0.44) CA1CA2IDO1DRD2STK17B
SCHEMBL2525126 0.81 RAB9A (0.36)
SCHEMBL12232511 0.81 CA1 (0.44) CA1CA2IDO1DRD2STK17B
SCHEMBL24619251 0.81 PRMT5 (0.48) AAK1PRMT5WDR77IDO1
SCHEMBL29924642 0.81 PRMT5 (0.48) AAK1PRMT5WDR77IDO1
SCHEMBL2522091 0.77 PYGL (0.37)
SCHEMBL2520920 0.75 ALDH1A1 (0.42)

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 4 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
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 AAK1 2693/4885CA1 4394/4885CA2 3431/4885

“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.