SCHEMBL18010053

SCHEMBL18010053

O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cnco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.49
NPC1 O15118 8/20 0.45
RAB9A P51151 8/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 3/20 0.45
PKM P14618 2/20 0.45
ABCC9 O60706 1/20 0.43
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
KCNJ8 Q15842 1/20 0.43
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 3/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN1 P18031 2/20 0.40
PTPN2 P17706 1/20 0.40

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
SCHEMBL22823022 0.81 F2R (0.51) F2RNPC1RAB9AALDH1A1KDM4E
SCHEMBL22823023 0.81 SMN1; SMN2 (0.58) F2RNPC1RAB9AALDH1A1KDM4E
SCHEMBL18993388 0.81 F2R (0.51) F2RNPC1RAB9AALDH1A1KDM4E
SCHEMBL6607818 0.81 NPC1 (0.58) F2RNPC1RAB9AALDH1A1KDM4E
SCHEMBL18027797 0.81 RAB9A (0.51) F2RNPC1RAB9AALDH1A1KDM4E
SCHEMBL6605382 0.78 F2R (0.51) F2RNPC1RAB9AALDH1A1KDM4E
SCHEMBL16692746 0.77 PTPN2 (0.69) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL15057825 0.77 NPC1 (0.62) F2RNPC1RAB9AALDH1A1KDM4E
SCHEMBL18010150 0.73 GAA (0.73) ALDH1A1KDM4ELMNAMAPK1TP53
SCHEMBL16692739 0.72 F2R (0.48) F2RNPC1RAB9AALDH1A1KDM4E

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 6 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 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 F2R 3590/4885NPC1 1429/4885RAB9A 793/4885

“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.