Sugi Predict

Sugi Predict / Compounds / SCHEMBL2676170

SCHEMBL2676170

SCHEMBL2676170

CCC(C)(CNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.48
▸ WDR77 Q9BQA1 1/20 0.48
▸ AAK1 Q2M2I8 2/20 0.43
▸ LIPG Q9Y5X9 2/20 0.38
▸ LPL P06858 1/20 0.38
▸ HIF1A Q16665 3/20 0.37
▸ DGAT1 O75907 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ BACE2 Q9Y5Z0 1/20 0.34
▸ KDM4A O75164 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ PDK2 Q15119 1/20 0.32
▸ CA9 Q16790 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
SCHEMBL29539567 0.80 AAK1 (0.49) PRMT5WDR77AAK1LIPGLPL
SCHEMBL3800262 0.80 AAK1 (0.49) PRMT5WDR77AAK1LIPGLPL
SCHEMBL2592478 0.79 PRMT5 (0.57) PRMT5WDR77AAK1LIPGLPL
SCHEMBL29591259 0.79 PRMT5 (0.57) PRMT5WDR77AAK1LIPGLPL
SCHEMBL2554882 0.78 AAK1 (0.49) PRMT5WDR77AAK1LIPGLPL
SCHEMBL2144320 0.77 LIPG (0.51) PRMT5WDR77AAK1LIPGLPL
SCHEMBL2554301 0.76 AAK1 (0.52) PRMT5WDR77AAK1LIPGLPL
SCHEMBL16014137 0.76 PRMT5 (0.49) PRMT5WDR77AAK1LIPGLPL
SCHEMBL3321408 0.76 PRMT5 (0.49) PRMT5WDR77AAK1DGAT1NQO2
SCHEMBL28948437 0.75 PRMT5 (0.48) PRMT5WDR77AAK1LIPGLPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367697-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-05 — — US disclosed
EP-2215089-B1 [1H- PYRAZOLO [3, 4-B]PYRIDINE-4-YL]-PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA VERTEX PHARMA (US) 2012-06-27 — — EP disclosed
US-20120149680-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 — — US disclosed
US-8173635-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-08 — — US disclosed
EP-2215089-A1 [1H- PYRAZOLO [3, 4-B]PYRIDINE-4-YL]-PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA Vertex Pharmaceuticals Incorporated (US) 2010-08-11 — — EP disclosed
US-20090291937-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 — — US disclosed
WO-2009073300-A1 [1H- PYRAZOLO [3, 4-B] PYRIDINE-4-YL] -PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-11 — — 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-20090291937-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRMT5 923/4885WDR77 1987/4885AAK1 189/4885
US-20120149680-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRMT5 923/4885WDR77 1987/4885AAK1 189/4885

“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.