SCHEMBL407083

SCHEMBL407083

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH2 Q6NS38 3/20 0.34
FTO Q9C0B1 3/20 0.34
ALKBH3 Q96Q83 2/20 0.34
TLR7 Q9NYK1 3/20 0.33
ALKBH5 Q6P6C2 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
PYGL P06737 1/20 0.32
PYGM P11217 1/20 0.32
PTGER1 P34995 1/20 0.32
KMO O15229 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
P4HTM Q9NXG6 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KDR P35968 2/20 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
Trifluoromethanesulfonic Acid SCHEMBL407082 0.81 FTO (0.40) ALKBH2FTOALKBH3ALKBH5MRGPRX4
SCHEMBL404698 0.76 MAPK1 (0.38) KMT2ATDP1LMNAL3MBTL1ALDH1A1
SCHEMBL10064449 0.76 ALDH1A1 (0.52) ALKBH2FTOALKBH5KMT2AKMO
SCHEMBL407587 0.74 CES2 (0.37) KMT2ALMNAMEN1ALDH1A1KDR
SCHEMBL407288 0.73 KMT2A (0.34) KMT2APOLBTDP1LMNAP4HTM
SCHEMBL6638516 0.67 LMNA (0.50) KMT2APOLBTDP1LMNANAPRT
Trifluoromethanesulfonic Acid SCHEMBL759937 0.67 PTPN1 (0.41) POLBL3MBTL1ALDH1A1SRC
SCHEMBL18319936 0.66 LMNA (0.46) TLR7KMT2ATDP1LMNANAPRT
SCHEMBL4859653 0.66 MGAM (0.54) KMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL2701828 0.65 CA2 (0.39) TDP1ALDH1A1

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 ALKBH2 1182/4885FTO 1514/4885ALKBH3 204/4885

“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.