SCHEMBL2989290

SCHEMBL2989290

Cc1ccc(OS(=O)(=O)C(F)(F)F)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
KDM4E B2RXH2 2/20 0.40
STS P08842 1/20 0.40
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
EPAS1 Q99814 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
ACHE P22303 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
GPR3 P46089 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34

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
SCHEMBL31195498 1.00 CA1 (0.44) CA1CA2CA9KDM4ESTS
SCHEMBL6942043 0.86 CA1 (0.44) CA1CA2CA9KDM4EDRD2
SCHEMBL31195545 0.84 MRGPRX4 (0.40) STSDRD2DRD1DRD4DRD5
SCHEMBL29365046 0.83 CA1 (0.50) CA1CA2CA9KDM4ESTS
SCHEMBL31204254 0.83 CA1 (0.46) CA1CA2CA9KDM4EDRD2
SCHEMBL8502379 0.83 EPAS1 (0.47) CA1CA2CA9KDM4EEPAS1
SCHEMBL31204476 0.83 TSHR (0.46) KDM4ESTSEPAS1MRGPRX4ALDH1A1
SCHEMBL1772862 0.83 CA1 (0.50) CA1CA2CA9KDM4ESTS
SCHEMBL1411728 0.83 CA1 (0.46) CA1CA2CA9KDM4EDRD2
SCHEMBL4581096 0.83 ACHE (0.55) CA1CA2CA9ACHEUSP2

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 26 patents — showing the first 20. 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-9707551-B2 Reaction catalyst for cross-coupling and method for manufacturing aromatic compound HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-18 US disclosed
CN-104350040-B Aromatic compound TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2016-06-01 CN disclosed
CN-105492075-A Inhibitors of viral replication, their process of preparation and their therapeutical uses MUTABILIS SA 2016-04-13 CN 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
CN-104350040-A Aromatic ring compound TAKEDA PHARMACEUTICAL 2015-02-11 CN disclosed
US-20140011097-A1 TERT-BUTYLPHENYL SULFONATE COMPOUND, NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM SECONDARY BATTERY USING THE SAME, AND LITHIUM SECONDARY BATTERY USING THE SAME UBE INDUSTRIES, LTD. (JP) 2014-01-09 US disclosed
US-8546599-B2 Tert-butylphenyl sulfonate compound, nonaqueous electrolyte solution for lithium secondary battery using the same, and lithium secondary battery using the same UBE INDUSTRIES, LTD. (JP) 2013-10-01 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
US-RE36256-E ADMINISTERING ARYL-SUBSTITUTED QUINOXALINE DERIVATIVES AS ANTIPROLIFERATIVE, ANTICARCINOGENIC AND ANTITUMOR AGENTS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-20 US disclosed
US-5795889-A INHIBITING CELL GROWTH WITH ENZYME INHIBITORS FOR SKIN DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-08-18 US disclosed
US-5656643-A QUINOLIN PYRIDINE DERIVATIVES; USEFUL FOR TREATING CANCER, LEKEMIA, PSORIASIS, INFLAMMATORY DISODERS, BONE DISORDERS, ATHEROSCLEROSIS AND RESTENOSIS; CONTROLLS CELLULAR REPRODUCTION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-08-12 US disclosed
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 US disclosed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 US disclosed
US-5409930-A Inhibits abnoramal cell proliferation; dimethoxyquinoline/ dimethylquinoline/ quinolineoxide/ and quinoxaline derivatives RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-04-25 US disclosed
WO-1992020642-A1 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-11-26 WO 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 CA1 4452/4885CA2 3856/4885CA9 2329/4885
US-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND ALK, HRH4, HRH3 CA1 952/4885CA2 163/4885CA9 411/4885

“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.