SCHEMBL6934553

SCHEMBL6934553

Cc1cccc(OS(=O)(=O)C(F)(F)F)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
DRD2 P14416 8/20 0.41
DRD3 P35462 6/20 0.41
DRD4 P21917 4/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR2 Q92731 1/20 0.41
TRPA1 O75762 1/20 0.41
ATM Q13315 1/20 0.41
DRD1 P21728 2/20 0.40
DRD5 P21918 2/20 0.40
HTR1D P28221 2/20 0.40
CASP1 P29466 1/20 0.39
HTR5A P47898 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR6 P50406 1/20 0.38

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
Hydrogen Sulfide SCHEMBL27838727 0.98 MAPT (0.42) MAPTGAAALDH1A1KDM4EDRD2
SCHEMBL20539283 0.86 DRD2 (0.44) DRD2DRD3DRD4DRD1DRD5
SCHEMBL30665126 0.85 DRD2 (0.42) GAAALDH1A1DRD2DRD3DRD4
SCHEMBL2984151 0.85 DRD2 (0.42) GAAALDH1A1DRD2DRD3DRD4
Iodide SCHEMBL8735164 0.84 DRD2 (0.40) GAAALDH1A1KDM4EDRD2DRD3
Hydrogen Sulfide SCHEMBL28795253 0.84 DRD2 (0.41) GAAALDH1A1DRD2DRD3DRD4
SCHEMBL17048014 0.83 DRD2 (0.39) GAAALDH1A1KDM4EDRD2DRD3
SCHEMBL19948194 0.83 DRD2 (0.41) GAADRD2DRD3DRD4MEN1
SCHEMBL9999646 0.83 MEN1 (0.49) GAADRD2DRD3DRD4MEN1
SCHEMBL28115604 0.83 DRD2 (0.40) GAADRD2DRD3DRD4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527101-B Novel compound, polymer, process for producing the same, photosensitive resin composition, pattern forming process, cured film, and electronic component 信越化学工业株式会社 2024-04-23 CN disclosed
CN-113527680-B Polymer, photosensitive resin composition, pattern forming method, cured film, and electronic component 信越化学工业株式会社 2023-04-28 CN disclosed
EP-2949655-B1 REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND HOKKO CHEM IND CO (JP) 2019-05-15 EP disclosed
US-9707551-B2 Reaction catalyst for cross-coupling and method for manufacturing aromatic compound HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-18 US disclosed
US-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2015-12-17 US disclosed
EP-2949655-A1 REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND Hokko Chemical Industry Co., Ltd. (JP) 2015-12-02 EP disclosed
CN-105008378-A Reaction catalyst for cross coupling and method for manufacturing aromatic compound HOKKO CHEM IND CO 2015-10-28 CN disclosed
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 (3 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 MAPT 1945/4885GAA 1735/4885ALDH1A1 1669/4885
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 MAPT 4856/4885GAA 3980/4885ALDH1A1 2369/4885
US-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND ALK, HRH4, HRH3 MAPT 4800/4885GAA 1944/4885ALDH1A1 2351/4885

“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.