SCHEMBL3450362

SCHEMBL3450362

CCOc1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
KMT2A Q03164 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
DGAT1 O75907 2/20 0.40
PDGFRB P09619 3/20 0.39
KDR P35968 3/20 0.39
ALPL P05186 1/20 0.36
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LIPG Q9Y5X9 2/20 0.34
HIF1A Q16665 2/20 0.34
FFAR1 O14842 1/20 0.34
ROCK2 O75116 1/20 0.34
LPL P06858 1/20 0.33
UCHL1 P09936 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL20472729 0.86 ALPL (0.44) GSK3AGSK3BAAK1DGAT1PDGFRB
SCHEMBL3606221 0.81 GSK3A (0.44) GSK3AGSK3BAAK1DGAT1PDGFRB
SCHEMBL3412433 0.79 GSK3A (0.41) GSK3AGSK3BAAK1DGAT1PDGFRB
SCHEMBL3798489 0.79 PDGFRB (0.43) GSK3AGSK3BKMT2AAAK1DGAT1
SCHEMBL3516528 0.79 GSK3A (0.45) GSK3AGSK3BKMT2AAAK1DGAT1
SCHEMBL6934738 0.78 AAK1 (0.50) GSK3AGSK3BAAK1DGAT1PDGFRB
SCHEMBL462679 0.78 AAK1 (0.47) GSK3AGSK3BKMT2AAAK1DGAT1
SCHEMBL30864874 0.78 AAK1 (0.45) GSK3AGSK3BAAK1DGAT1PDGFRB
SCHEMBL27314904 0.78 AAK1 (0.45) GSK3AGSK3BAAK1DGAT1PDGFRB
SCHEMBL3516566 0.78 GSK3A (0.40) GSK3AGSK3BAAK1DGAT1PDGFRB

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 1 patent. 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

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 2904/4885KMT2A 4408/4885

“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.