SCHEMBL3448994

SCHEMBL3448994

CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1OC(COC)COC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.38
DGAT1 O75907 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
PDGFRB P09619 3/20 0.34
KDR P35968 3/20 0.34
ALPL P05186 1/20 0.33
ALDH1A1 P00352 2/20 0.32
DPP4 P27487 3/20 0.32
HIF1A Q16665 1/20 0.32
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3450902 0.87 AAK1 (0.40) UCHL1DGAT1GSK3AGSK3BAAK1
SCHEMBL29604376 0.80 GSK3A (0.42) UCHL1DGAT1GSK3AGSK3BPDGFRB
SCHEMBL21198942 0.80 GSK3A (0.42) UCHL1DGAT1GSK3AGSK3BPDGFRB
SCHEMBL3449126 0.79 GSK3A (0.36) UCHL1DGAT1GSK3AGSK3BAAK1
SCHEMBL3450157 0.78 GSK3A (0.38) UCHL1DGAT1GSK3AGSK3BAAK1
SCHEMBL3450100 0.78 GSK3A (0.36) UCHL1DGAT1GSK3AGSK3BAAK1
SCHEMBL3378106 0.78 OPRK1 (0.42) ALDH1A1DPP4GAAMEN1TSHR
SCHEMBL3448579 0.77 UCHL1 (0.38) UCHL1DGAT1GSK3AGSK3BGAA
SCHEMBL3448303 0.76 MEN1 (0.39) UCHL1GSK3AGSK3BALDH1A1GAA
SCHEMBL3377209 0.76 DGAT1 (0.42) DGAT1GSK3AGSK3BAAK1PDGFRB

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 UCHL1 4062/4885DGAT1 3787/4885GSK3A 3194/4885

“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.