SCHEMBL18010045

SCHEMBL18010045

O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cccc(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
P2RX1 P51575 1/20 0.57
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
TP53 P04637 3/20 0.54
KDM4E B2RXH2 4/20 0.51
EGLN2 Q96KS0 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
ALDH1A1 P00352 2/20 0.50
NQO2 P16083 1/20 0.50
DEGS1 O15121 1/20 0.50
SNCA P37840 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HDAC3 O15379 1/20 0.47
BRAF P15056 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL18010105 0.86 NQO2 (0.69) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL6796839 0.84 TP53 (0.73) MEN1KMT2AP2RX1NPC1RAB9A
SCHEMBL10804897 0.83 MEN1 (0.81) MEN1KMT2AP2RX1NPC1RAB9A
SCHEMBL8773726 0.82 MEN1 (0.69) MEN1KMT2AP2RX1NPC1RAB9A
SCHEMBL16692713 0.82 NPC1 (0.66) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL2063559 0.80 KMT2A (0.77) MEN1KMT2AP2RX1NPC1RAB9A
SCHEMBL18027783 0.80 NPC1 (0.71) MEN1KMT2AP2RX1NPC1RAB9A
SCHEMBL22228326 0.80 MEN1 (0.65) MEN1KMT2AP2RX1NPC1RAB9A
SCHEMBL18993384 0.80 MEN1 (0.65) MEN1KMT2AP2RX1NPC1RAB9A
SCHEMBL2194134 0.79 P2RX1 (0.78) MEN1KMT2AP2RX1NPC1RAB9A

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 MEN1 4343/4885KMT2A 1810/4885P2RX1 2839/4885

“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.