SCHEMBL476861

SCHEMBL476861

CC1(C)OB(c2cccc3oncc23)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
LPL P06858 7/20 0.34
LIPG Q9Y5X9 7/20 0.34
EGFR P00533 2/20 0.32
JAK2 O60674 1/20 0.32
BTK Q06187 1/20 0.32
LIPE Q05469 5/20 0.32
IRAK4 Q9NWZ3 1/20 0.30
CXCR2 P25025 1/20 0.30
UCHL1 P09936 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
SCHEMBL15773786 0.77 LPL (0.34) LPLLIPGUCHL1
SCHEMBL13527502 0.77 LPL (0.44) LPLLIPGJAK2BTK
SCHEMBL3930607 0.73 LPL (0.38) LPLLIPGEGFRJAK2BTK
SCHEMBL476863 0.72 LPL (0.36) LPLLIPGEGFRJAK2BTK
SCHEMBL29479006 0.71 JAK2 (0.39) LPLLIPGJAK2BTK
SCHEMBL13098733 0.71 JAK2 (0.39) LPLLIPGJAK2BTK
SCHEMBL29586872 0.70 LPL (0.44) LPLLIPGJAK2BTK
SCHEMBL476862 0.70 LPL (0.44) LPLLIPGJAK2BTK
SCHEMBL5899734 0.70 LPL (0.54) LPLLIPG
SCHEMBL23803459 0.70 LPL (0.36) LPLLIPGEGFRJAK2BTK

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
EP-2411398-B1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-12-17 EP disclosed
US-8785651-B2 Method for manufacturing a boronic acid ester compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-22 US disclosed
US-20120123122-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND GENENTECH, INC. (US) 2012-05-17 US disclosed
EP-2411398-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-01 EP disclosed
WO-2010110782-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 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-20120123122-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND NISCH, BRSK1, BLK BRD4 158/4885LPL 1463/4885LIPG 3166/4885

“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.