Sugi Predict

Sugi Predict / Compounds / SCHEMBL4171194

SCHEMBL4171194

SCHEMBL4171194

CC(C)(C)OC(=O)n1cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ BACE1 P56817 1/20 0.39
▸ BACE2 Q9Y5Z0 1/20 0.39
▸ AAK1 Q2M2I8 2/20 0.39
▸ DGAT1 O75907 1/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ HIF1A Q16665 3/20 0.35
▸ LPL P06858 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ F11 P03951 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 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
SCHEMBL14718609 0.79 USP30 (0.42) USP30PRMT5WDR77BACE1BACE2
SCHEMBL26151150 0.78 USP30 (0.47) USP30PRMT5WDR77BACE1
SCHEMBL29965084 0.77 AAK1 (0.42) USP30PRMT5WDR77BACE1BACE2
SCHEMBL4166482 0.77 AAK1 (0.42) USP30PRMT5WDR77BACE1BACE2
SCHEMBL8194015 0.76 USP30 (0.41) USP30PRMT5WDR77BACE1BACE2
SCHEMBL4166121 0.75 BACE1 (0.40) USP30BACE1
SCHEMBL29477628 0.75 IRAK4 (0.48) USP30PRMT5WDR77BACE1BACE2
SCHEMBL481893 0.75 USP30 (0.43) USP30PRMT5WDR77BACE1BACE2
SCHEMBL795413 0.75 IRAK4 (0.48) USP30PRMT5WDR77BACE1BACE2
SCHEMBL476868 0.75 USP30 (0.36) USP30PRMT5WDR77AAK1DGAT1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 — — US disclosed
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 — — US disclosed
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 — — US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 — — US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 — — US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 — — US disclosed
EP-1828180-A1 1H-PYRROLO[2,3-BETA]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2007-09-05 — — EP disclosed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 — — WO disclosed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 — — 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 (2 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-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes SGK1, SGK2, SGK3 USP30 4184/4885PRMT5 1428/4885WDR77 2777/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 USP30 4035/4885PRMT5 1487/4885WDR77 2709/4885

“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.