SCHEMBL1900239

SCHEMBL1900239

COC(=O)c1c(F)c(Cl)c(C(=O)OC)c(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
MAPK1 P28482 1/20 0.42
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ALDH1A1 P00352 3/20 0.36
NR4A2 P43354 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 3/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 2/20 0.33
HPGD P15428 2/20 0.33
ACHE P22303 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL522512 0.91 TSHR (0.50) TSHRMAPK1CES2CES1CA12
SCHEMBL1901154 0.91 TSHR (0.48) TSHRMAPK1CES2CES1CA12
Dacthal SCHEMBL8827292 0.86 CA12 (0.48) TSHRCA12CA1CA2CA7
Dacthal SCHEMBL53477 0.86 CA12 (0.48) TSHRCA12CA1CA2CA7
SCHEMBL20529615 0.84 TSHR (0.47) TSHRMAPK1CES2CES1CA12
SCHEMBL8339188 0.84 CA12 (0.46) TSHRCES2CES1CA12CA1
SCHEMBL19478297 0.82 TSHR (0.42) TSHRMAPK1CES2CES1CA12
SCHEMBL7202434 0.81 CA12 (0.44) TSHRCES2CES1CA12CA1
SCHEMBL5334826 0.79 CA12 (0.46) TSHRCES2CES1CA12CA1
SCHEMBL521682 0.77 TSHR (0.46) TSHRMAPK1CES2CES1CA12

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
US-8399710-B2 Alkali metal fluoride dispersion and process for producing fluorine-containing organic compound using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-19 US disclosed
US-20130060032-A1 POTASSIUM FLUORIDE DISPERSION AND PROCESS FOR PRODUCING FLUORINE-CONTAINING ORGANIC COMPOUND USING THE SAME HAGIYA KOJI (JP) 2013-03-07 US disclosed
US-8350091-B2 Potassium fluoride dispersion and process for producing fluorine-containing organic compound using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-08 US disclosed
EP-1961729-B1 METHOD FOR PRODUCING TETRAFLUOROTEREPHTHALIC ACID DIFLUORIDE SUMITOMO CHEMICAL CO (JP) 2012-09-26 EP disclosed
EP-2471741-A1 Potassium Fluoride Sumitomo Chemical Company, Limited (JP) 2012-07-04 EP disclosed
US-20120097891-A1 POTASSIUM FLUORIDE DISPERSION AND PROCESS FOR PRODUCING FLUORINE-CONTAINING ORGANIC COMPOUND USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-26 US disclosed
US-8017798-B2 Method for producing tetrafluoroterephthalic acid difluoride SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-13 US disclosed
US-20110112321-A1 ALKALI METAL FLUORIDE DISPERSION AND PROCESS FOR PRODUCING FLUORINE-CONTAINING ORGANIC COMPOUND USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-12 US disclosed
EP-2192087-A1 ALKALI METAL FLUORIDE DISPERSION, AND PROCESS FOR PRODUCTION OF FLUORINATED ORGANIC COMPOUND USING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP disclosed
US-20090227810-A1 METHOD FOR PRODUCING TETRAFLUOROTEREPHTHALIC ACID DIFLUORIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-09-10 US disclosed
US-20090099387-A1 POTASSIUM FLUORIDE DISPERSION SOLUTION, AND PROCESS FOR PRODUCTION OF FLUORINATED ORGANIC COMPOUND USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-16 US disclosed
EP-2011764-A1 POTASSIUM FLUORIDE DISPERSION SOLUTION, AND PROCESS FOR PRODUCTION OF FLUORINATED ORGANIC COMPOUND USING THE SAME Sumitomo Chemical Company, Limited (JP) 2009-01-07 EP disclosed
EP-1961729-A1 METHOD FOR PRODUCING TETRAFLUOROTEREPHTHALIC ACID DIFLUORIDE Sumitomo Chemical Company, Limited (JP) 2008-08-27 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 (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-20090227810-A1 METHOD FOR PRODUCING TETRAFLUOROTEREPHTHALIC ACID DIFLUORIDE DDT, DGKA, FGFR1 TSHR 136/4885MAPK1 2581/4885CES2 2711/4885
US-20110112321-A1 ALKALI METAL FLUORIDE DISPERSION AND PROCESS FOR PRODUCING FLUORINE-CONTAINING ORGANIC COMPOUND USING THE SAME AFF1, AFF4, AFF2 TSHR 1355/4885MAPK1 755/4885CES2 3277/4885

“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.