SCHEMBL16692736

SCHEMBL16692736

CC(=O)Oc1cc(/C=C/C(=O)O)cc(OC(C)=O)c1OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 3/20 0.60
HPGD P15428 2/20 0.60
HSD17B10 Q99714 2/20 0.60
HTR1A P08908 2/20 0.60
HTR2C P28335 1/20 0.60
PKM P14618 2/20 0.56
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
AKR1C3 P42330 2/20 0.52
AKR1C2 P52895 1/20 0.52
TUBB4A P04350 2/20 0.51
TUBB P07437 2/20 0.51
TUBA3C P0DPH7 2/20 0.51
TUBA1B P68363 2/20 0.51
TUBA4A P68366 2/20 0.51
TUBB4B P68371 2/20 0.51
TUBB3 Q13509 2/20 0.51
TUBB2A Q13885 2/20 0.51
TUBB8 Q3ZCM7 2/20 0.51

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
SCHEMBL2491158 0.90 KDM4E (0.76) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL2491159 0.90 KDM4E (0.76) KDM4EALDH1A1HPGDHSD17B10HTR1A
Hydrochloric Acid SCHEMBL9043399 0.89 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL16692730 0.85 TUBB4A (0.50) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL6022557 0.83 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL6022551 0.83 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL9734688 0.82 TUBB4A (0.46) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL717233 0.81 TUBB4A (0.61) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL2294213 0.81 JUN (0.68) KDM4EALDH1A1HPGDHSD17B10PKM
SCHEMBL717232 0.81 TUBB4A (0.61) KDM4EALDH1A1HPGDHSD17B10HTR1A

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
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
WO-2015064764-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF 宇部興産株式会社 2015-05-07 WO 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 KDM4E 1553/4885ALDH1A1 414/4885HPGD 3052/4885

“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.