SCHEMBL1773603

SCHEMBL1773603

CC(C)(C)OCc1ccccc1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.46
LIPE Q05469 3/20 0.41
ENPP2 Q13822 2/20 0.39
IDO1 P14902 2/20 0.34
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
ORAI3 Q9BRQ5 1/20 0.34
CXCR2 P25025 2/20 0.34
HSPA5 P11021 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL29408426 1.00 LIPG (0.46) LIPGLIPEENPP2IDO1ORAI1
SCHEMBL646908 0.81 IDO1 (0.38) IDO1HSPA5GABRA1GABRB2
SCHEMBL29504613 0.78 LIPG (0.50) LIPGLIPEENPP2IDO1ORAI1
SCHEMBL520432 0.78 LIPG (0.50) LIPGLIPEENPP2IDO1ORAI1
SCHEMBL3458333 0.77 IDO1 (0.37) LIPEENPP2IDO1ORAI1ORAI2
SCHEMBL7418607 0.76 LIPG (0.48) LIPGLIPEENPP2IDO1ORAI1
SCHEMBL31071985 0.75 CXCR2 (0.34) ENPP2IDO1CXCR2
SCHEMBL20742245 0.75 BACE1 (0.45) LIPGLIPEENPP2IDO1ORAI1
SCHEMBL21767560 0.75 CXCR2 (0.34) ENPP2IDO1CXCR2
SCHEMBL12544470 0.74 LIPG (0.52) LIPGLIPEENPP2IDO1ORAI1

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-8158647-B2 Substituted pyrrolopyridines and pyrazolopyridines as kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof SANOFI-AVENTIS (FR) 2011-05-12 US disclosed
EP-2242747-A1 SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF Sanofi-Aventis (FR) 2010-10-27 EP disclosed
WO-2009097997-A1 SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI-AVENTIS (FR) 2009-08-13 WO disclosed
EP-2056822-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-05-13 EP disclosed
US-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-01-01 US disclosed
WO-2008150914-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-12-11 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-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS PDXK, MAP3K4, PDPK1 LIPG 261/4885LIPE 1794/4885ENPP2 521/4885
US-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof GIPR, PGC, DDC LIPG 258/4885LIPE 110/4885ENPP2 4416/4885

“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.