SCHEMBL8260905

SCHEMBL8260905

CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.41
LPL P06858 6/20 0.41
P4HB P07237 1/20 0.40
F11 P03951 3/20 0.39
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
ACE2 Q9BYF1 1/20 0.39
RXRA P19793 2/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
ROCK1 Q13464 1/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL3188123 0.85 HIF1A (0.39) LIPGLPLP4HBCA1CA2
SCHEMBL4817008 0.81 HIF1A (0.40) LIPGLPLCA1CA2CA9
SCHEMBL3201071 0.80 CA1 (0.46) LIPGLPLP4HBF11F2
SCHEMBL458415 0.80 LIPG (0.45) LIPGLPLP4HBF11F2
SCHEMBL20364048 0.79 LPL (0.46) LIPGLPLF11CA1CA2
SCHEMBL4159434 0.79 LIPG (0.40) LIPGLPLP4HBF11F2
SCHEMBL1130871 0.79 ROCK1 (0.48) LIPGLPLP4HBF11F2
SCHEMBL1131421 0.79 TSHR (0.47) LIPGLPLP4HBF11F2
SCHEMBL1860322 0.78 LPL (0.43) LIPGLPLF11CA1CA2
SCHEMBL29169983 0.78 LIPG (0.41) LIPGLPLP4HBF11F2

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 5 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-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
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 LIPG 3434/4885LPL 4316/4885P4HB 2692/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 LIPG 3742/4885LPL 4468/4885P4HB 3016/4885

“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.