SCHEMBL18010168

SCHEMBL18010168

O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccsc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.64
▸ NPC1 O15118 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ KCNK3 O14649 1/20 0.52
▸ KCNK9 Q9NPC2 1/20 0.52
▸ HDAC1 Q13547 1/20 0.50
▸ GRM4 Q14833 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ NAMPT P43490 1/20 0.42
▸ TRPV4 Q9HBA0 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ DAO P14920 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ AXL P30530 1/20 0.41

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
SCHEMBL31198184 0.80 HPGD (0.72) HPGDNPC1RAB9AKCNK3KCNK9
SCHEMBL27652929 0.79 HPGD (0.76) HPGDNPC1RAB9AKCNK3KCNK9
SCHEMBL15070509 0.79 HPGD (0.70) HPGDNPC1RAB9AKCNK3KCNK9
SCHEMBL16692729 0.79 HPGD (0.70) HPGDNPC1RAB9AKCNK3KCNK9
SCHEMBL7715873 0.79 HPGD (0.70) HPGDNPC1RAB9AKCNK3KCNK9
SCHEMBL6623847 0.78 HPGD (1.00) HPGDNPC1RAB9AKCNK3KCNK9
Hydrochloric Acid SCHEMBL27518063 0.78 HPGD (0.68) HPGDNPC1RAB9AKCNK3KCNK9
SCHEMBL16692713 0.77 NPC1 (0.66) NPC1RAB9AKCNK3KCNK9KMT2A
SCHEMBL21114830 0.76 HPGD (0.66) HPGDNPC1RAB9AKCNK3KCNK9
SCHEMBL16692725 0.74 POLB (0.73) NPC1RAB9AKMT2ATRPV4PTPN1

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 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
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 HPGD 3052/4885NPC1 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.

Send feedback