SCHEMBL30705191

SCHEMBL30705191

O=S(=O)(Oc1cccc(-c2ccccc2)c1-c1ccccc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.44
ENPP1 P22413 2/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
DRD3 P35462 6/20 0.36
DRD1 P21728 4/20 0.36
DRD4 P21917 4/20 0.36
DRD5 P21918 4/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
HTR1D P28221 2/20 0.35
PTGS2 P35354 2/20 0.35

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
SCHEMBL10062806 0.90 DRD2 (0.42) DRD2ADORA2AADORA1DRD3DRD1
SCHEMBL28014198 0.88 DRD2 (0.40) DRD2ADORA2AADORA1DRD3DRD1
Hydrogen Sulfide SCHEMBL1089065 0.87 DRD2 (0.41) DRD2ADORA2AADORA1DRD3DRD1
Hydrogen Sulfide SCHEMBL1088675 0.87 DRD2 (0.43) DRD2ENPP1DRD3DRD1DRD4
SCHEMBL367003 0.86 DRD2 (0.42) DRD2DRD3DRD1DRD4DRD5
SCHEMBL7795722 0.86 CYP1A2 (0.39) DRD2ADORA2AADORA1PDE4APDE4C
SCHEMBL7795719 0.86 CA12 (0.40) DRD2ENPP1PDE4APDE4CPDE4D
SCHEMBL9470568 0.84 DRD2 (0.39) DRD2DRD3DRD1DRD4DRD5
SCHEMBL28166225 0.83 PTGS2 (0.41) DRD2ADORA2AADORA1DRD3DRD1
SCHEMBL10029309 0.83 DRD2 (0.41) DRD2ADORA2AADORA1DRD3DRD1

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-20230337532-A1 TRIAZINE COMPOUND, MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, ELECTRON TRANSPORT MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, AND ORGANIC LIGHT EMITTING DIODE TOSOH CORPORATION (JP) 2023-10-19 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-20230337532-A1 TRIAZINE COMPOUND, MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, ELECTRON TRANSPORT MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, AND ORGANIC LIGHT EMITTING DIODE ARNT, TPH1, AHR DRD2 18/4885ENPP1 3414/4885ADORA2A 781/4885

“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.