SCHEMBL24023373

SCHEMBL24023373

CCOC(=O)CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.39
▸ HIF1A Q16665 3/20 0.37
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ AAK1 Q2M2I8 2/20 0.35
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ UCHL1 P09936 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ LIPG Q9Y5X9 3/20 0.33
▸ LPL P06858 2/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ANO1 Q5XXA6 1/20 0.31
▸ P4HB P07237 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
SCHEMBL24023421 0.84 DGAT1 (0.42) DGAT1HIF1APRMT5WDR77FFAR1
SCHEMBL22289552 0.81 DGAT1 (0.45) DGAT1HIF1APRMT5WDR77FFAR1
SCHEMBL22289520 0.79 FFAR1 (0.42) DGAT1HIF1APRMT5WDR77FFAR1
SCHEMBL18274832 0.79 HIF1A (0.39) DGAT1HIF1AGSK3AGSK3BUCHL1
SCHEMBL21201415 0.77 LPL (0.37) DGAT1HIF1APRMT5WDR77FFAR1
SCHEMBL16065191 0.76 UCHL1 (0.42) DGAT1HIF1AGSK3AGSK3BUCHL1
SCHEMBL24023322 0.75 HSD11B1 (0.39) GSK3AGSK3BHSD11B1LMNAMAPK1
SCHEMBL23597018 0.75 FFAR1 (0.44) DGAT1HIF1APRMT5WDR77FFAR1
SCHEMBL16008825 0.74 FFAR1 (0.40) DGAT1HIF1AFFAR1LIPGLPL
SCHEMBL30523101 0.74 FFAR1 (0.40) DGAT1HIF1AFFAR1LIPGLPL

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-20210353607-A1 PI3K INHIBITORS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2021-11-18 — — 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-20210353607-A1 PI3K INHIBITORS AND USES THEREOF PIK3CA, AKT3, GSK3B DGAT1 3422/4885HIF1A 1495/4885PRMT5 3716/4885

“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.

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