SCHEMBL18010046

SCHEMBL18010046

CC(=O)Oc1ccc(/C=C/C(=O)O)c(OC(C)=O)c1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
MAPK1 P28482 2/20 0.45
CFD P00746 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.41
ALOX15 P16050 1/20 0.41
GAA P10253 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB1 P19838 2/20 0.40
TSHR P16473 1/20 0.40
JUN P05412 1/20 0.40
NFE2L2 Q16236 2/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 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
SCHEMBL18010051 1.00 AKR1C3 (0.47) AKR1C3AKR1C2MAPK1CFDABCG2
SCHEMBL1812626 0.81 NFE2L2 (0.49) MAPK1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL9426682 0.78 MAPK1 (0.45) MAPK1CFDKDM4EALDH1A1SMN1; SMN2
SCHEMBL16115058 0.78 CA1 (0.41) AKR1C3AKR1C2MAPK1KDM4EALDH1A1
SCHEMBL2265390 0.78 HCAR2 (0.48) MAPK1ABCG2KDM4EALDH1A1SMN1; SMN2
SCHEMBL2265382 0.78 HCAR2 (0.48) MAPK1ABCG2KDM4EALDH1A1SMN1; SMN2
SCHEMBL28239714 0.78 ABCG2 (0.46) AKR1C3AKR1C2MAPK1ABCG2KDM4E
SCHEMBL4715093 0.77 HTT (0.63) MAPK1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL1711263 0.77 HTT (0.63) MAPK1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL1711265 0.77 HTT (0.63) MAPK1KDM4EALDH1A1SMN1; SMN2HPGD

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 AKR1C3 1276/4885AKR1C2 1049/4885MAPK1 1347/4885

“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.