SCHEMBL18010086

SCHEMBL18010086

O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ncccn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.44
P2RX7 Q99572 1/20 0.43
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
PTGS1 P23219 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
GRM4 Q14833 3/20 0.41
PKM P14618 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.40
PRKCI P41743 1/20 0.40
MITF O75030 1/20 0.39

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
SCHEMBL18010172 0.84 GRM4 (0.60) SMN1; SMN2NPC1RAB9AGRM4PKM
SCHEMBL18010199 0.80 KDM4E (0.49) AKR1C3AKR1C2PTGS1NPC1RAB9A
SCHEMBL18010076 0.80 CSF1R (0.50) GRM4KDM4EPRKCI
SCHEMBL5958993 0.78 PRKCI (0.59) P2RX7SMN1; SMN2NPC1RAB9APKM
SCHEMBL18027790 0.77 KDM4E (0.64) TRPV1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL18993387 0.77 P2RX7 (0.47) TRPV1P2RX7PTGDR2SMN1; SMN2NPC1
SCHEMBL18010150 0.77 GAA (0.73) SMN1; SMN2KDM4EMAPTGAATP53
SCHEMBL18010114 0.76 GRM4 (0.58) P2RX7SMN1; SMN2NPC1RAB9AGRM4
SCHEMBL2242573 0.76 TRPV1 (0.71) TRPV1
SCHEMBL16692713 0.76 NPC1 (0.66) SMN1; SMN2NPC1RAB9AKDM4EMAPT

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 TRPV1 1236/4885P2RX7 2655/4885AKR1C3 1276/4885

“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.