SCHEMBL18010049

SCHEMBL18010049

O=C(Nc1c(SF)c(SF)c(SF)c(SF)c1SF)c1cnco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.46
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
KCNJ8 Q15842 1/20 0.46
F2R P25116 1/20 0.41
CHRNA4 P43681 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
NTRK1 P04629 1/20 0.32
ACACB O00763 2/20 0.32
KDM4E B2RXH2 3/20 0.31
NPC1 O15118 3/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 2/20 0.31
RAB9A P51151 2/20 0.31
PKM P14618 2/20 0.31
POLB P06746 1/20 0.31
BUB1 O43683 1/20 0.31

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
SCHEMBL25060914 0.70
SCHEMBL18010201 0.69 NPC1 (0.50) KDM4ENPC1ALDH1A1RAB9APOLB
SCHEMBL18010204 0.69 F2R (0.41) F2RNTRK1ACACBBUB1
SCHEMBL16027956 0.69
SCHEMBL18010053 0.68 F2R (0.49) ABCC9ABCC8KCNJ11KCNJ8F2R
SCHEMBL18010128 0.67 CSF1R (0.44) KDM4ELMNAALDH1A1POLBTDP1
SCHEMBL22823023 0.67 SMN1; SMN2 (0.58) F2RKDM4ENPC1LMNAALDH1A1
SCHEMBL6605382 0.67 F2R (0.51) ABCC9ABCC8KCNJ11KCNJ8F2R
SCHEMBL22823022 0.67 F2R (0.51) ABCC9ABCC8KCNJ11KCNJ8F2R
SCHEMBL18010111 0.66 P2RX7 (0.54) CHRNA4CHRNB2CHRNB4CHRNA3

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 3 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
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

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 ABCC9 622/4885ABCC8 309/4885KCNJ11 2580/4885

“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.