SCHEMBL18010023

SCHEMBL18010023

O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccc[nH]1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
GFER P55789 1/20 0.55
KDM1A O60341 1/20 0.53
RCOR1 Q9UKL0 1/20 0.53
SCN9A Q15858 2/20 0.49
TMIGD3 P0DMS9 1/20 0.49
ADORA1 P30542 1/20 0.49
KCNMA1 Q12791 1/20 0.43
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.41
TYK2 P29597 1/20 0.40
PTGS1 P23219 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN3A Q9NY46 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL29368677 0.80 NPC1 (0.60) NPC1RAB9AGFERKDM1ARCOR1
SCHEMBL4954697 0.80 NPC1 (0.59) NPC1RAB9AGFERKDM1ARCOR1
SCHEMBL7589089 0.79 KDM1A (0.61) NPC1RAB9AGFERKDM1ARCOR1
SCHEMBL22822554 0.79 RAB9A (0.58) NPC1RAB9AGFERKDM1ARCOR1
SCHEMBL6037540 0.79 NPC1 (0.58) NPC1RAB9AGFERKDM1ARCOR1
SCHEMBL16692690 0.79 NPC1 (0.58) NPC1RAB9AGFERKDM1ARCOR1
SCHEMBL6037543 0.79 KDM4E (0.60) NPC1RAB9AGFERKDM1ARCOR1
Hydrochloric Acid SCHEMBL31228757 0.78 KDM1A (0.60) NPC1RAB9AGFERKDM1ARCOR1
SCHEMBL16692713 0.77 NPC1 (0.66) NPC1RAB9ATYK2MEN1KMT2A
SCHEMBL4525537 0.74 SCN9A (0.57) NPC1RAB9AGFERKDM1ARCOR1

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-11629125-B2 Elimination of hepatitis b virus with antiviral agents EMORY UNIVERSITY (US) 2023-04-18 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
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 (2 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 NPC1 1429/4885RAB9A 793/4885GFER 480/4885
US-11629125-B2 Elimination of hepatitis b virus with antiviral agents HAVCR2, SLC10A1, ABCB11 NPC1 32/4885RAB9A 1252/4885GFER 2120/4885

“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.