SCHEMBL3450157

SCHEMBL3450157

CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1OCCNC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
DGAT1 O75907 1/20 0.36
UCHL1 P09936 1/20 0.35
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
IDO1 P14902 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
ALPL P05186 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
ROCK2 O75116 1/20 0.33
MAPT P10636 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
SCHEMBL3449126 0.82 GSK3A (0.36) GSK3AGSK3BDGAT1UCHL1PDGFRB
SCHEMBL3450100 0.82 GSK3A (0.36) GSK3AGSK3BDGAT1UCHL1LMNA
SCHEMBL3448579 0.80 UCHL1 (0.38) GSK3AGSK3BDGAT1UCHL1TP53
SCHEMBL3450902 0.80 AAK1 (0.40) GSK3AGSK3BDGAT1UCHL1PDGFRB
SCHEMBL3448303 0.79 MEN1 (0.39) GSK3AGSK3BUCHL1LMNAALDH1A1
SCHEMBL29604376 0.79 GSK3A (0.42) GSK3AGSK3BDGAT1UCHL1PDGFRB
SCHEMBL21198942 0.79 GSK3A (0.42) GSK3AGSK3BDGAT1UCHL1PDGFRB
SCHEMBL3448994 0.78 UCHL1 (0.38) GSK3AGSK3BDGAT1UCHL1PDGFRB
SCHEMBL3345784 0.78 CNR2 (0.47) MTNR1AMTNR1BIDO1LMNAPOLB
SCHEMBL3450320 0.77 DGAT1 (0.42) GSK3AGSK3BDGAT1PDGFRBKDR

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 3 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

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 GSK3A 3194/4885GSK3B 2904/4885DGAT1 3787/4885

“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.