SCHEMBL18010071

SCHEMBL18010071

O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccc(O)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.57
SNCA P37840 4/20 0.52
TOP2A P11388 1/20 0.50
TOP2B Q02880 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KCNQ3 O43525 5/20 0.46
KCNQ2 O43526 5/20 0.46
PTPN1 P18031 1/20 0.44
KCNE1 P15382 2/20 0.44
KCNQ1 P51787 2/20 0.44
MITF O75030 1/20 0.43
TRPV4 Q9HBA0 1/20 0.43
ALOX15 P16050 1/20 0.43
KCNQ5 Q9NR82 1/20 0.43
GCGR P47871 1/20 0.42

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
SCHEMBL18010072 0.88 TOP1 (0.57) TOP1SNCATOP2ATOP2BMEN1
SCHEMBL16692656 0.83 TOP1 (0.74) TOP1SNCATOP2ATOP2BMEN1
SCHEMBL18993382 0.82 TOP1 (0.60) TOP1SNCATOP2ATOP2BMEN1
SCHEMBL18027778 0.82 NPC1 (0.64) TOP1SNCATOP2ATOP2BKCNQ3
SCHEMBL18010194 0.81 AURKB (0.61) TOP1MEN1KMT2A
SCHEMBL18010105 0.78 NQO2 (0.69) TOP1SNCATOP2ATOP2BMEN1
SCHEMBL18010146 0.78 TOP1 (0.48) TOP1SNCATOP2ATOP2BMEN1
SCHEMBL18010045 0.78 MEN1 (0.59) SNCAMEN1KMT2A
SCHEMBL16692727 0.75 NPC1 (0.47) MEN1KMT2AKCNQ3KCNQ2
SCHEMBL16692725 0.75 POLB (0.73) SNCAMEN1KMT2APTPN1MITF

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-9682931-B2 Aryloyl(oxy or amino)pentafluorosulfanylbenzene compound, pharmaceutically acceptable salt thereof, and prodrugs thereof UBE INDUSTRIES, LTD. (JP) 2017-06-20 US claimed
US-9682931-B2 Aryloyl(oxy or amino)pentafluorosulfanylbenzene compound, pharmaceutically acceptable salt thereof, and prodrugs thereof UBE INDUSTRIES, LTD. (JP) 2017-06-20 US disclosed
US-9682931-B2 Aryloyl(oxy or amino)pentafluorosulfanylbenzene compound, pharmaceutically acceptable salt thereof, and prodrugs thereof UBE INDUSTRIES, LTD. (JP) 2017-06-20 US disclosed
EP-3064489-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF Ube Industries, Ltd. (JP) 2016-09-07 EP disclosed
EP-3064489-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF Ube Industries, Ltd. (JP) 2016-09-07 EP disclosed
US-20160244407-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF UBE INDUSTRIES, LTD. (JP) 2016-08-25 US disclosed
US-20160244407-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF UBE INDUSTRIES, LTD. (JP) 2016-08-25 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-20160244407-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF SLCO1B1, SLCO2B1, SLCO1B3 TOP1 4791/4885SNCA 1648/4885TOP2A 4753/4885

“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.