SCHEMBL18010072

SCHEMBL18010072

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.57
SNCA P37840 4/20 0.56
TOP2A P11388 1/20 0.54
TOP2B Q02880 1/20 0.54
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNQ3 O43525 4/20 0.46
KCNQ2 O43526 4/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
PTPN1 P18031 1/20 0.44
KCNE1 P15382 2/20 0.44
KCNQ1 P51787 2/20 0.44
HSD17B14 Q9BPX1 1/20 0.43
LMNA P02545 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL18010071 0.88 TOP1 (0.57) TOP1SNCATOP2ATOP2BMEN1
SCHEMBL16692656 0.86 TOP1 (0.74) TOP1SNCATOP2ATOP2BMEN1
SCHEMBL18027780 0.82 NPC1 (0.64) TOP1SNCATOP2ATOP2BMEN1
SCHEMBL16692724 0.82 TOP1 (0.60) TOP1SNCATOP2ATOP2BMEN1
SCHEMBL18010146 0.80 TOP1 (0.48) TOP1SNCATOP2ATOP2BMEN1
SCHEMBL18010105 0.78 NQO2 (0.69) TOP1SNCATOP2ATOP2BMEN1
SCHEMBL18010194 0.78 AURKB (0.61) TOP1MEN1KMT2ANPC1RAB9A
SCHEMBL18010045 0.78 MEN1 (0.59) SNCAMEN1KMT2ANPC1RAB9A
SCHEMBL16692727 0.75 NPC1 (0.47) MEN1KMT2AKCNQ3KCNQ2NPC1
SCHEMBL16692725 0.75 POLB (0.73) SNCAMEN1KMT2ANPC1RAB9A

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
CN-106414402-A Aryloyl(oxy or amino)pentafluorosulfanylbenzene compound, pharmaceutically acceptable salt thereof, and prodrugs thereof 宇部兴产株式会社 2017-02-15 CN 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.