SCHEMBL6937296

SCHEMBL6937296

O=S(=O)(Oc1cccc(CCO)c1)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.55
CYP4A11 Q02928 2/20 0.55
DRD2 P14416 2/20 0.46
DRD1 P21728 2/20 0.46
DRD4 P21917 2/20 0.46
DRD5 P21918 2/20 0.46
DRD3 P35462 2/20 0.46
TDP1 Q9NUW8 1/20 0.42
MGLL Q99685 1/20 0.42
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
ACMSD Q8TDX5 1/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL4465269 0.83 PTGDR2 (0.48) DRD2DRD1DRD4DRD5DRD3
SCHEMBL6941013 0.82 CYP4F2 (0.53) CYP4F2CYP4A11TDP1
SCHEMBL8499667 0.82 DRD2 (0.46) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4652343 0.82 DRD2 (0.47) CYP4F2CYP4A11DRD2DRD1DRD4
SCHEMBL10181555 0.82 PPARA (0.56) DRD2DRD1DRD4DRD5DRD3
SCHEMBL13959365 0.82 MGLL (0.47) DRD2DRD1DRD4DRD5DRD3
SCHEMBL18511728 0.82 CA12 (0.45) DRD2DRD1DRD4DRD5DRD3
SCHEMBL14051438 0.81 DRD2 (0.44) CYP4F2CYP4A11DRD2DRD1DRD4
SCHEMBL16428267 0.81 DRD2 (0.44) DRD2DRD1DRD4DRD5DRD3
SCHEMBL5178160 0.80 CA1 (0.56) DRD2DRD1DRD4DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167372-B1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO PERFUMERY CO LTD (JP) 2003-12-10 EP disclosed
US-6455720-B1 AS CATALYSTS TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-09-24 US disclosed
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-05-16 US disclosed
US-6365776-B1 FROM ORGANOHALOGEN COMPOUND AND AMINE USING PALLADIUM COMPOUND CATALYST AND PROMOTER TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-04-02 US disclosed
US-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TAKASAGO INTERNATIONAL CORPORATION 2002-03-21 US disclosed
EP-1167372-A1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst Takasago International Corporation (JP) 2002-01-02 EP 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-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TYR, DDC, PNMT CYP4F2 1291/4885CYP4A11 1062/4885DRD2 463/4885
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst DDT, PDCD11, PLD2 CYP4F2 2326/4885CYP4A11 3474/4885DRD2 47/4885

“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.