SCHEMBL18010034

SCHEMBL18010034

O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccncc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.52
STIM1 Q13586 2/20 0.52
ORAI1 Q96D31 2/20 0.52
TRPC1 P48995 1/20 0.52
TRPC3 Q13507 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
CRACR2A Q9BSW2 4/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
LMNA P02545 2/20 0.45
CYP11B2 P19099 2/20 0.45
CYP11B1 P15538 1/20 0.45
JAK2 O60674 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
SCHEMBL18993438 0.82 HTT (0.55) HTTSTIM1ORAI1TRPC1TRPC3
SCHEMBL18027793 0.82 STIM1 (0.57) HTTSTIM1ORAI1TRPC1TRPC3
SCHEMBL28072916 0.82 HTT (0.67) HTTSTIM1ORAI1TRPC1TRPC3
SCHEMBL986127 0.78 STIM1 (0.53) HTTSTIM1ORAI1TRPC1TRPC3
SCHEMBL18010150 0.77 GAA (0.73) HTTL3MBTL1KMT2AGAALMNA
SCHEMBL15528787 0.76 KMT2A (0.64) HTTSTIM1ORAI1L3MBTL1MEN1
SCHEMBL3809188 0.76 STIM1 (0.62) HTTSTIM1ORAI1TRPC1TRPC3
SCHEMBL18979244 0.76 KMT2A (0.64) HTTSTIM1ORAI1L3MBTL1MEN1
SCHEMBL18010202 0.75 NPC1 (0.67) HTTL3MBTL1MEN1KMT2ANPC1
SCHEMBL1825866 0.74 STIM1 (0.60) HTTSTIM1ORAI1TRPC1TRPC3

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 5 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
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 HTT 2350/4885STIM1 4653/4885ORAI1 1470/4885

“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.