SCHEMBL4753530

SCHEMBL4753530

CC(C)(C)N(C(=O)O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 5/20 0.40
LPL P06858 4/20 0.40
P4HB P07237 1/20 0.38
F2 P00734 2/20 0.37
F11 P03951 2/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
HIF1A Q16665 3/20 0.36
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
ROCK1 Q13464 1/20 0.34
DGAT1 O75907 1/20 0.34
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 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
SCHEMBL2136697 0.83 LIPG (0.46) LIPGLPLP4HBF2F11
SCHEMBL175277 0.83 BACE1 (0.39) BACE1
SCHEMBL4221810 0.82 LIPG (0.43) LIPGLPLP4HBF2F11
SCHEMBL1558987 0.80 PDGFRB (0.37) LIPGLPLP4HBF2F11
SCHEMBL2267172 0.78 LIPG (0.46) LIPGLPLP4HBF2F11
SCHEMBL59027 0.77 F11 (0.39) LIPGLPLP4HBF2F11
SCHEMBL1554719 0.76 DGAT1 (0.37) LIPGLPLP4HBF2F11
SCHEMBL58297 0.76 AAK1 (0.44) LIPGLPLP4HBF2F11
SCHEMBL59978 0.76 ROCK1 (0.42) LIPGLPLP4HBF2F11
SCHEMBL3766206 0.76 LIPE (0.32) F2F11PRSS1PRSS2PRSS3

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-20080255184-A1 Thienopyridine B-Raf Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-10-16 US disclosed
EP-1951728-A2 THIENOPYRIDINE B-RAF KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007056625-A2 THIENOPYRIDINE B-RAF KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-18 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 (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-20080255184-A1 Thienopyridine B-Raf Kinase Inhibitors BRAF, RAF1, ARAF LIPG 3794/4885LPL 4636/4885P4HB 3984/4885

“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.