SCHEMBL5865848

SCHEMBL5865848

O=S(=O)([C](F)F)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
TSHR P16473 1/20 0.52
HTR6 P50406 1/20 0.50
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
APOBEC3G Q9HC16 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46

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
SCHEMBL5132709 0.84 SMN1; SMN2 (0.52) SMN1; SMN2TSHRHTR6CA1CA2
SCHEMBL9397393 0.82 SMN1; SMN2 (0.50) SMN1; SMN2TSHRHTR6CA1CA2
SCHEMBL777950 0.80 SMN1; SMN2 (0.48) SMN1; SMN2TSHRHTR6CA1CA2
SCHEMBL9397394 0.80 SMN1; SMN2 (0.48) SMN1; SMN2TSHRHTR6CA1CA2
SCHEMBL778407 0.80 SMN1; SMN2 (0.48) SMN1; SMN2TSHRHTR6CA1CA2
SCHEMBL9181571 0.80 SMN1; SMN2 (0.48) SMN1; SMN2TSHRHTR6CA1CA2
Benzene SCHEMBL1357365 0.78 SMN1; SMN2 (0.46) SMN1; SMN2TSHRHTR6CA1CA2
SCHEMBL28235593 0.77 HTT (0.53) SMN1; SMN2TSHRHTR6CA1CA2
SCHEMBL30811021 0.77 ALDH1A1 (0.52) SMN1; SMN2TSHRHTR6CA1CA2
SCHEMBL27601416 0.77 ALDH1A1 (0.52) SMN1; SMN2TSHRHTR6CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101665470-A Method for synthesizing cyclic sulphoxide imine, sulfenamide and sulfamide by stereospecificty SHANGHAI INST ORGANIC CHEM 2010-03-10 CN claimed
CN-1724542-A The preparation method of [(benzene sulfonyl) difluoromethyl] trimethyl silane SHANGHAI INST ORGANIC CHEM (CN) 2006-01-25 CN claimed
EP-3180324-B1 HYPERVALENT IODINE CF2CF2X REAGENTS AND THEIR USE ETH ZUERICH (CH) 2020-11-25 EP disclosed
US-10669250-B2 Hypervalent iodine CF2CF2X reagents and their use ETH ZURICH (CH) 2020-06-02 US disclosed
US-20190040036-A1 HYPERVALENT IODINE CF2CF2X REAGENTS AND THEIR USE ETH ZURICH (CH) 2019-02-07 US disclosed
US-10040812-B2 Hypervalent iodine CF2CF2X reagents and their use ETH ZURICH (CH) 2018-08-07 US disclosed
US-20170233420-A1 HYPERVALENT IODINE CF2CF2X REAGENTS AND THEIR USE ETH ZURICH (CH) 2017-08-17 US disclosed
EP-3180324-A1 HYPERVALENT IODINE CF2CF2X REAGENTS AND THEIR USE ETH Zürich (CH) 2017-06-21 EP disclosed
WO-2016019475-A1 HYPERVALENT IODINE CF2CF2X REAGENTS AND THEIR USE ETH ZURICH (CH) 2016-02-11 WO disclosed
EP-2982672-A1 Hypervalent iodine CF2CF2X reagents and their use ETH Zurich (CH) 2016-02-10 EP disclosed
CN-101665470-A Method for synthesizing cyclic sulphoxide imine, sulfenamide and sulfamide by stereospecificty SHANGHAI INST ORGANIC CHEM 2010-03-10 CN disclosed
US-20060052643-A1 Nucleophilic substitution reactions of difluorormethyl phenyl sulfone with alkyl halides leading to the facile synthesis of terminal 1,1-difluoro-1-alkenes and difluoromethylalkanes UNIVERSITY OF SOUTHERN CALIFORNIA 2006-03-09 US disclosed
US-20060052643-A1 Nucleophilic substitution reactions of difluorormethyl phenyl sulfone with alkyl halides leading to the facile synthesis of terminal 1,1-difluoro-1-alkenes and difluoromethylalkanes UNIVERSITY OF SOUTHERN CALIFORNIA 2006-03-09 US disclosed
CN-1724491-A The difluoromethyl reaction that [(benzene sulfonyl) difluoromethyl] trimethyl silane participates in to carbonyl compound SHANGHAI INST ORGANIC CHEM (CN) 2006-01-25 CN disclosed
CN-1724491-A The difluoromethyl reaction that [(benzene sulfonyl) difluoromethyl] trimethyl silane participates in to carbonyl compound SHANGHAI INST ORGANIC CHEM (CN) 2006-01-25 CN disclosed
CN-1724542-A The preparation method of [(benzene sulfonyl) difluoromethyl] trimethyl silane SHANGHAI INST ORGANIC CHEM (CN) 2006-01-25 CN disclosed
WO-2005097739-A2 NUCLEOPHILIC SUBSTITUTION REACTIONS OF DIFLUOROMETHYL PHENYL SULFONE WITH ALKYL HALIDES LEADING TO THE FACILE SYNTHESIS OF TERMINAL 1,1-DIFLUORO-1-ALKENES AND DIFLUOROMETHYLALKANES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-10-20 WO disclosed
WO-2005097739-A2 NUCLEOPHILIC SUBSTITUTION REACTIONS OF DIFLUOROMETHYL PHENYL SULFONE WITH ALKYL HALIDES LEADING TO THE FACILE SYNTHESIS OF TERMINAL 1,1-DIFLUORO-1-ALKENES AND DIFLUOROMETHYLALKANES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-10-20 WO disclosed
US-20040230079-A1 Methods for nucleophilic fluoromethylation SOUTHERN CALIFORNIA, UNIVERSITY OF 2004-11-18 US disclosed
WO-2004063129-A2 METHODS FOR NUCLEOPHILIC FLUOROMETHYLATION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2004-07-29 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 (6 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-20170233420-A1 HYPERVALENT IODINE CF2CF2X REAGENTS AND THEIR USE TPO, CYP4F2, FANCF SMN1; SMN2 4869/4885TSHR 32/4885HTR6 3353/4885
US-20040230079-A1 Methods for nucleophilic fluoromethylation PHF2, HAO2, GSTM2 SMN1; SMN2 1470/4885TSHR 2421/4885HTR6 1076/4885
US-10669250-B2 Hypervalent iodine CF2CF2X reagents and their use TPO, FANCF, FANCI SMN1; SMN2 4543/4885TSHR 14/4885HTR6 4321/4885
US-20190040036-A1 HYPERVALENT IODINE CF2CF2X REAGENTS AND THEIR USE TPO, FANCF, FANCI SMN1; SMN2 4543/4885TSHR 14/4885HTR6 4321/4885
US-20060052643-A1 Nucleophilic substitution reactions of difluorormethyl phenyl sulfone with alkyl halides leading to the facile synthesis of terminal 1,1-difluoro-1-alkenes and difluoromethylalkanes PFAS, FRK, PFKFB1 SMN1; SMN2 751/4885TSHR 1041/4885HTR6 2603/4885
US-10040812-B2 Hypervalent iodine CF2CF2X reagents and their use TPO, CYP4F2, FANCF SMN1; SMN2 4869/4885TSHR 32/4885HTR6 3353/4885

“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.