SCHEMBL4306807

SCHEMBL4306807

O=S(=O)(O)C(F)(F)Sc1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 1/20 0.35
KCNK2 O95069 2/20 0.35
KCNK10 P57789 2/20 0.35
MMP2 P08253 2/20 0.35
MMP8 P22894 2/20 0.35
MMP14 P50281 1/20 0.35
HSD11B1 P28845 2/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MMP1 P03956 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
SCHEMBL5017164 0.80 PTPN1 (0.40) MAPTNPSR1HTTHSD17B10ALDH1A1
SCHEMBL8941845 0.72 ALDH1A1 (0.58) MAPTNPSR1NPC1HTTRAB9A
Trifluoromethanesulfonic Acid SCHEMBL28887769 0.69 MAPK1 (0.48) MAPTNPC1HTTRAB9AHSD17B10
SCHEMBL12436754 0.69 CYP2C9 (0.40) MAPTNPSR1NPC1HTTRAB9A
SCHEMBL8941503 0.69 LMNA (0.38) MAPTNPSR1NPC1HTTRAB9A
SCHEMBL29009430 0.69 CYP2C9 (0.50) MAPTNPSR1NPC1HTTRAB9A
SCHEMBL13950430 0.69 MAPT (0.41) MAPTNPSR1NPC1HTTRAB9A
1,4-Dichlorobenzene SCHEMBL28859925 0.68 ALDH1A1 (0.58) NPC1ALDH1A1CYP3A4MAPK1MMP2
1,4-Dichlorobenzene SCHEMBL2727174 0.68 ALDH1A1 (0.58) NPC1ALDH1A1CYP3A4MAPK1MMP2
SCHEMBL8005997 0.68 KCNK2 (0.54) MAPTNPSR1HTTALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482302-B2 triethylammonium (4-chlorophenylsulfonyl)difluoromethanesulfonate used for acid catalysts, ion exchange membranes DAIKIN INDUSTRIES, LTD. (JP) 2009-01-27 US disclosed
US-20060252961-A1 triethylammonium (4-chlorophenylsulfonyl)difluoromethanesulfonate used for acid catalysts, ion exchange membranes DAIKIN INDUSTRIES, LTD. (JP) 2006-11-09 US 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-20060252961-A1 triethylammonium (4-chlorophenylsulfonyl)difluoromethanesulfonate used for acid catalysts, ion exchange membranes SLC26A3, SLC7A1, SLC9A2 MAPT 4855/4885NPSR1 1917/4885NPC1 203/4885

“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.