SCHEMBL6938167

SCHEMBL6938167

Cc1cc(C)c(OS(=O)(=O)C(F)(F)F)cc1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.34
DRD3 P35462 4/20 0.34
DRD1 P21728 2/20 0.34
DRD4 P21917 2/20 0.34
DRD5 P21918 2/20 0.34
HSD11B1 P28845 1/20 0.33
CXCR2 P25025 2/20 0.33
STS P08842 1/20 0.33
ESR2 Q92731 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CXCR1 P25024 1/20 0.32
HTR1D P28221 3/20 0.32
HTR1A P08908 1/20 0.31
HTR1B P28222 1/20 0.31

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
SCHEMBL14240535 0.92 DRD2 (0.38) DRD2DRD3DRD1DRD4DRD5
SCHEMBL17864633 0.89 MEN1 (0.41)
SCHEMBL10059752 0.85 CYP3A4 (0.39) DRD2DRD3DRD1DRD4DRD5
SCHEMBL26601703 0.84 ALDH1A1 (0.31) DRD2DRD3DRD1DRD4DRD5
SCHEMBL16237843 0.80 HSD11B1 (0.32) DRD2DRD3DRD1DRD4DRD5
SCHEMBL29697810 0.80 HSD11B1 (0.32) DRD2DRD3DRD1DRD4DRD5
Hydrogen Sulfide SCHEMBL15796096 0.79 ESR2 (0.33) DRD2DRD3DRD1DRD4DRD5
SCHEMBL7030271 0.79 DRD2 (0.32) DRD2DRD3DRD1DRD4DRD5
SCHEMBL6942043 0.79 CA1 (0.44) DRD2DRD3DRD1DRD4DRD5
SCHEMBL2989290 0.79 CA1 (0.44) DRD2DRD3DRD1DRD4DRD5

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
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-9994559-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists KING'S COLLEGE LONDON (GB) 2018-06-12 US disclosed
US-20170327489-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists KING'S COLLEGE LONDON (GB) 2017-11-16 US 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 (4 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 DRD2 463/4885DRD3 1555/4885DRD1 281/4885
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 DRD2 47/4885DRD3 330/4885DRD1 99/4885
US-20170327489-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists RARB, RARA, RXRB DRD2 2326/4885DRD3 2433/4885DRD1 2117/4885
US-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND ALK, HRH4, HRH3 DRD2 405/4885DRD3 832/4885DRD1 442/4885

“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.