SCHEMBL13554239

SCHEMBL13554239

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc1ccc(B(O)O)cc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.33
RXRB P28702 3/20 0.33
RXRG P48443 3/20 0.33
S1PR1 P21453 1/20 0.32
MGLL Q99685 2/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
ENPP2 Q13822 1/20 0.32
CTSS P25774 2/20 0.31
CTSK P43235 1/20 0.31
MRGPRX4 Q96LA9 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
SCHEMBL13554240 0.84 RXRA (0.35) RXRARXRBRXRGS1PR1MGLL
SCHEMBL13554248 0.80 ENPP2 (0.31) ENPP2
SCHEMBL29955864 0.78 RXRA (0.50) RXRARXRBRXRGS1PR1MGLL
SCHEMBL3113375 0.78 RXRA (0.50) RXRARXRBRXRGS1PR1MGLL
SCHEMBL13554242 0.77 ENPP2 (0.39) ENPP2
SCHEMBL10290933 0.76 KDM4E (0.41) RXRARXRBRXRGS1PR1MGLL
SCHEMBL3587911 0.75 AAK1 (0.38) RXRARXRBRXRGS1PR1MGLL
SCHEMBL13665316 0.75 S1PR1 (0.55) S1PR1MGLLTHRATHRB
SCHEMBL1629456 0.74 S1PR1 (0.44) S1PR1MGLLCTSSCTSK
SCHEMBL13554243 0.73 MGLL (0.36) RXRARXRBRXRGMGLL

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 RXRA 2610/4885RXRB 2718/4885RXRG 3287/4885

“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.