SCHEMBL3306191

SCHEMBL3306191

FC(F)(F)Oc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.57
TSHR P16473 1/20 0.57
EPHX2 P34913 3/20 0.53
NR3C1 P04150 1/20 0.51
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
NR1H2 P55055 1/20 0.50
BAX Q07812 1/20 0.50
MAOA P21397 1/20 0.50
FAAH O00519 1/20 0.49
MAPK14 Q16539 1/20 0.48
CETP P11597 1/20 0.47
KIF11 P52732 1/20 0.46
CHRM5 P08912 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45

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
SCHEMBL27862141 0.90 KIF11 (0.47) LTA4HTSHREPHX2SLC6A2SLC6A4
SCHEMBL168125 0.90 KIF11 (0.47) LTA4HTSHREPHX2SLC6A2SLC6A4
SCHEMBL28780452 0.90 EPHX2 (0.50) LTA4HTSHREPHX2NR3C1SLC6A2
SCHEMBL5239240 0.90 LTA4H (0.47) LTA4HTSHREPHX2NR3C1SLC6A2
SCHEMBL29087324 0.87 KIF11 (0.46) LTA4HTSHREPHX2SLC6A2SLC6A4
Fluoride SCHEMBL28371495 0.87 KIF11 (0.46) LTA4HTSHREPHX2SLC6A2SLC6A4
Hydrogen Sulfide SCHEMBL27539287 0.87 KIF11 (0.46) LTA4HTSHREPHX2SLC6A2SLC6A4
Ammonia Solution, Strong SCHEMBL2163079 0.87 KIF11 (0.46) LTA4HTSHREPHX2SLC6A2SLC6A4
SCHEMBL4036809 0.87 KIF11 (0.46) LTA4HTSHREPHX2SLC6A2SLC6A4
Water SCHEMBL27610464 0.87 KIF11 (0.46) LTA4HTSHREPHX2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111100332-B Preparation method and application of dumbbell type fluorine-containing polyphosphazene modified halloysite nanotube 厦门大学 2021-06-01 CN claimed
CN-111018808-A Fluorine-containing epoxy resin, composite material thereof and preparation method 长春长光宇航复合材料有限公司 2020-04-17 CN claimed
CN-109749122-B Hydrophobic ring cross-linked polyphosphazene composite sponge and preparation method and application thereof 中国石油大学(华东) 2021-10-08 CN disclosed
CN-112689633-A For inhibiting Nav1.8 pyridine carboxamide Compounds 利伯研究所公司 2021-04-20 CN disclosed
CN-111018808-A Fluorine-containing epoxy resin, composite material thereof and preparation method 长春长光宇航复合材料有限公司 2020-04-17 CN disclosed
EP-2871180-B1 2-AMINONICOTINIC ACID ESTER DERIVATIVE AND BACTERICIDE CONTAINING SAME AS ACTIVE INGREDIENT AGRO KANESHO CO LTD (JP) 2018-03-21 EP disclosed
US-20100099663-A1 4-TRIFLUOROMETHOXYPHENOXYBENZOL-4'-SULFONIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-04-22 US disclosed
US-20100099663-A1 4-TRIFLUOROMETHOXYPHENOXYBENZOL-4'-SULFONIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-04-22 US disclosed
US-20100099663-A1 4-TRIFLUOROMETHOXYPHENOXYBENZOL-4'-SULFONIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-04-22 US disclosed
EP-1763515-B1 4-TRIFLUOROMETHOXYPHENOXYBENZOL-4'-SULFONIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-03-12 EP disclosed
EP-1763515-B1 4-TRIFLUOROMETHOXYPHENOXYBENZOL-4'-SULFONIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-03-12 EP disclosed
US-20070155778-A1 4-Trifluoromethoxyphenoxybenzol-4-Sulfonic Acids, Method For The Production And Use Thereof In Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-05 US disclosed
US-20070155778-A1 4-Trifluoromethoxyphenoxybenzol-4-Sulfonic Acids, Method For The Production And Use Thereof In Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-05 US disclosed
US-20070155778-A1 4-Trifluoromethoxyphenoxybenzol-4-Sulfonic Acids, Method For The Production And Use Thereof In Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-05 US disclosed
EP-1763515-A1 4-TRIFLUOROMETHOXYPHENOXYBENZOL-4'-SULFONIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF IN MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2007-03-21 EP disclosed
WO-2006002764-A1 4-TRIFLUOROMETHOXYPHENOXYBENZOL-4'-SULFONIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-01-12 WO disclosed
WO-2006002764-A1 4-TRIFLUOROMETHOXYPHENOXYBENZOL-4'-SULFONIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-01-12 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-20100099663-A1 4-TRIFLUOROMETHOXYPHENOXYBENZOL-4'-SULFONIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF IN MEDICAMENTS XDH, CYP4X1, CYP4A11 LTA4H 2271/4885TSHR 1172/4885EPHX2 2313/4885
US-20070155778-A1 4-Trifluoromethoxyphenoxybenzol-4-Sulfonic Acids, Method For The Production And Use Thereof In Medicaments CYP4X1, AFF1, BPGM LTA4H 3470/4885TSHR 1416/4885EPHX2 3337/4885

“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.