SCHEMBL3451376

SCHEMBL3451376

COC(=O)CC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.40
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
ATM Q13315 1/20 0.34
FFAR1 O14842 1/20 0.34
HIF1A Q16665 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
UCHL1 P09936 1/20 0.33
F11 P03951 2/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
ALPL P05186 1/20 0.32

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
SCHEMBL1052988 0.83 ATM (0.51) DGAT1GSK3AGSK3BPDGFRBKDR
SCHEMBL30121332 0.83 ATM (0.51) DGAT1GSK3AGSK3BPDGFRBKDR
SCHEMBL3448220 0.80 FFAR1 (0.37) DGAT1GSK3AGSK3BPDGFRBKDR
SCHEMBL25232467 0.80 CYP11B1 (0.43) DGAT1GSK3AGSK3BPDGFRBKDR
SCHEMBL16872278 0.79 HCAR2 (0.47) GSK3AGSK3BMEN1KMT2APDGFRB
SCHEMBL1302760 0.79 MKNK1 (0.39) DGAT1GSK3AGSK3BPDGFRBKDR
SCHEMBL15813742 0.78 RAF1 (0.39) DGAT1GSK3AGSK3BPDGFRBKDR
SCHEMBL1674136 0.77 F11 (0.40) DGAT1GSK3AGSK3BPDGFRBKDR
SCHEMBL29588576 0.77 F11 (0.40) DGAT1GSK3AGSK3BPDGFRBKDR
SCHEMBL12314959 0.77 XDH (0.47) DGAT1GSK3AGSK3BPDGFRBKDR

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD DGAT1 3787/4885GSK3A 3194/4885GSK3B 2904/4885

“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.