SCHEMBL4430441

SCHEMBL4430441

Cc1cc(C)cc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.44
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CXCR2 P25025 2/20 0.37
HSD11B1 P28845 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CXCR1 P25024 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
HTR1A P08908 3/20 0.35
HTR1D P28221 3/20 0.35
HTR1B P28222 3/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
LMNA P02545 1/20 0.34
NR3C1 P04150 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
SCHEMBL2713479 0.96 EPAS1 (0.41) EPAS1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL509273 0.88 ALDH1A1 (0.41) EPAS1ALDH1A1CXCR2HSD11B1CA1
SCHEMBL10204404 0.88 EPAS1 (0.37) EPAS1CXCR2HSD11B1CA1CA2
SCHEMBL18002911 0.84 EPAS1 (0.35) EPAS1CXCR2HSD11B1CA1CA2
SCHEMBL926505 0.84 CA2 (0.41) CXCR2HSD11B1CA1CA2CXCR1
SCHEMBL7241272 0.82 ADORA2A (0.44) EPAS1ALDH1A1MAPK1CA1CA2
SCHEMBL19859413 0.81 DRD2 (0.42) EPAS1ALDH1A1CXCR2HSD11B1HTR1D
SCHEMBL10073222 0.81 CXCR2 (0.40) ALDH1A1CXCR2HSD11B1CA1CA2
SCHEMBL167959 0.80 PPARG (0.54) ALDH1A1MAPK1TDP1HSD11B1CA1
SCHEMBL7422254 0.80 SLC7A5 (0.43) ALDH1A1TSHRTDP1CXCR2CA1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024138861-A1 METHOD FOR CONSTRUCTING C-P BOND BY MEANS OF NICKEL-CATALYZED HIRAO REACTION 浙江九洲药业股份有限公司 2024-07-04 WO disclosed
CN-116023383-A Synthesis method of chiral tetrahydrofurano [2,3-b ] tetrahydroquinoline derivative 广西师范大学 2023-04-28 CN disclosed
CN-115894560-A Method for constructing C-P bond through Hirao reaction catalyzed by nickel 浙江九洲药业股份有限公司 2023-04-04 CN disclosed
CN-105492075-B Inhibitors of viral replication, their preparation method and their therapeutical uses HIVIH公司 2019-11-12 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
CN-105906617-B Modulators of HEC1 activity and methods thereof 泰纬生命科技股份有限公司 2018-09-04 CN disclosed
CN-106866463-B The preparation method of Ai Shadulin intermediates 富乐马鸿凯(大连)医药有限公司 2018-08-28 CN disclosed
CN-107266514-A Method for producing E4 intermediate 埃斯特拉私人有限责任公司 2017-10-20 CN 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-106866463-A The preparation method of Ai Shadulin intermediates 大连鸿凯化工科技发展有限公司 2017-06-20 CN disclosed
WO-2008109697-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-09-12 WO disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US 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-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PPARA, PPARG, PPARD EPAS1 152/4885ALDH1A1 1740/4885CYP3A4 3445/4885
US-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TYR, DDC, PNMT EPAS1 1175/4885ALDH1A1 1669/4885CYP3A4 301/4885
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 EPAS1 2517/4885ALDH1A1 2369/4885CYP3A4 1390/4885

“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.