SCHEMBL6466449

SCHEMBL6466449

O=S(=O)([O-])c1c(Cl)cc(C(F)(F)F)c[n+]1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
HTT P42858 3/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HIF1A Q16665 1/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL6466452 0.83 MRGPRX4 (0.36) ALDH1A1HTTLMNAMAPTKMT2A
SCHEMBL7079025 0.71 PDE2A (0.37) ALDH1A1HTTLMNAMAPTPOLB
SCHEMBL65864 0.66 KIF11 (0.39) MAPTKMT2ACA12CA1CA2
SCHEMBL23352152 0.65 ALDH1A1 (0.41) ALDH1A1HTTLMNAMAPTTDP1
Trifluoromethanesulfonic Acid SCHEMBL8717313 0.64 ACHE (0.40) CA12CA1CA2CA9KIF11
SCHEMBL8431893 0.64 ALDH1A1 (0.60) ALDH1A1HTTLMNAMAPTKMT2A
SCHEMBL21522541 0.63 CES2 (0.46) ALDH1A1LMNAMAPTKMT2ATDP1
SCHEMBL16735777 0.62 ALDH1A1 (0.33) ALDH1A1HTTLMNAMAPTKMT2A
SCHEMBL533215 0.62 MCL1 (0.39) ALDH1A1HTTLMNAMAPTKMT2A
SCHEMBL14934971 0.62 ALDH1A1 (0.37) ALDH1A1HTTLMNAMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8558012-B2 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2013-10-15 US claimed
US-8558012-B2 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2013-10-15 US disclosed
US-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-12-29 US disclosed
US-6855850-B2 Method of manufacturing fluorine compounds, and a method of recovering or regenerating precursors of fluorinating agents DAIKIN INDUSTRIES LTD. (JP) 2005-02-15 US disclosed
EP-0526849-B1 Substituted N-Fluoropyridiniumsulfonate, intermediates therefor and preparation processes thereof DAIKIN IND LTD (JP) 1999-12-01 EP disclosed
US-5374732-A Chemical intermediates as fluorination agents DAIKIN INDUSTRIES, LTD. (JP) 1994-12-20 US disclosed
EP-0526849-A1 Novel substituted N-Fluoropyridiniumsulfonate, intermediates therefor and preparation processes thereof DAIKIN INDUSTRIES, LTD. (JP) 1993-02-10 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 (1 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-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME CBR1, CYP1B1, CYP2F1 ALDH1A1 160/4885HTT 1667/4885LMNA 3752/4885

“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.