SCHEMBL10064449

SCHEMBL10064449

O=C(O)c1cc([S+](c2ccccc2)c2ccccc2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 6/20 0.52
KDM6B O15054 2/20 0.52
KDM4A O75164 2/20 0.52
KDM5C P41229 2/20 0.52
KDM4C Q9H3R0 2/20 0.52
KDM2A Q9Y2K7 2/20 0.52
KDM3A Q9Y4C1 2/20 0.52
ALKBH5 Q6P6C2 2/20 0.52
FTO Q9C0B1 2/20 0.52
TET3 O43151 1/20 0.52
BBOX1 O75936 1/20 0.52
MAPT P10636 1/20 0.52
KDM5A P29375 1/20 0.52
ASPH Q12797 1/20 0.52
KDM4D Q6B0I6 1/20 0.52
TET2 Q6N021 1/20 0.52
KDM7A Q6ZMT4 1/20 0.52
KDM8 Q8N371 1/20 0.52
TET1 Q8NFU7 1/20 0.52

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
Trifluoromethanesulfonic Acid SCHEMBL407082 0.86 FTO (0.40) ALDH1A1KDM4EKDM6BKDM4AKDM5C
SCHEMBL407083 0.76 ALKBH2 (0.34) ALDH1A1ALKBH5FTONAPRTLMNA
SCHEMBL725162 0.73 KMO (0.62) ALDH1A1KDM4EKDM6BKDM4AKDM5C
SCHEMBL30800092 0.72 KMO (0.71) ALDH1A1KDM4EKDM6BKDM4AKDM5C
SCHEMBL7513922 0.72 KMO (0.71) ALDH1A1KDM4EKDM6BKDM4AKDM5C
SCHEMBL5521631 0.71 KDM4E (0.52) ALDH1A1KDM4EKDM6BKDM4AKDM5C
SCHEMBL23513750 0.70 KDM4E (0.46) ALDH1A1KDM4EKDM6BKDM4AKDM5C
Oxalic Acid SCHEMBL12231034 0.69 CES2 (0.41) ALDH1A1MAPTNAPRTLMNAL3MBTL1
Acetic Acid SCHEMBL7788632 0.69 CES2 (0.46) ALDH1A1MAPTNAPRTLMNASMN1; SMN2
SCHEMBL65841 0.69 KDM4E (0.63) ALDH1A1KDM4EKDM6BKDM4AKDM5C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120020881-A1 Triaryl-sulphonium compounds, kit and methods for labeling positron emitting isotopes BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-26 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-20120020881-A1 Triaryl-sulphonium compounds, kit and methods for labeling positron emitting isotopes KIT, STS, TST ALDH1A1 1638/4885KDM4E 2169/4885KDM6B 943/4885

“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.