SCHEMBL13554245

SCHEMBL13554245

[2H]C([2H])([2H])C([2H])([2H])Oc1cc(B(O)O)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.33
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
HTT P42858 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
SCHEMBL13554248 0.82 ENPP2 (0.31) ENPP2
SCHEMBL2850890 0.80 HTT (0.45) ENPP2LPLLIPGHTT
SCHEMBL13554240 0.78 RXRA (0.35) ENPP2
SCHEMBL14217725 0.76 REN (0.38) ENPP2CA1CA2
SCHEMBL13554244 0.76 SLC6A4 (0.33) HTT
SCHEMBL22471 0.74 ENPP2 (0.47) ENPP2CA1CA2HTT
SCHEMBL29427154 0.74 ENPP2 (0.47) ENPP2CA1CA2HTT
SCHEMBL11894322 0.74 ALDH1A1 (0.41) HTT
SCHEMBL12100513 0.73 CA2 (0.50) ENPP2CA1CA2LPLLIPG
SCHEMBL26978166 0.73 MGLL (0.33) ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 ENPP2 4417/4885CA1 3253/4885CA2 921/4885

“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.