SCHEMBL3348800

SCHEMBL3348800

O=C(O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.46
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.42
CYP2C19 P33261 1/20 0.42
GRIK1 P39086 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
TAS2R14 Q9NYV8 6/20 0.40
ASPH Q12797 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FABP4 P15090 1/20 0.38
NOTUM Q6P988 1/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38

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 SCHEMBL404139 0.90 AVPR2 (0.40) CES2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL407587 0.82 CES2 (0.37) CES2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL424263 0.74 CES2 (0.78) CES2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL221518 0.74 LMNA (0.62) ALDH1A1HPGDKDM4EGRIK1TAS2R14
SCHEMBL30449216 0.74 LMNA (0.62) ALDH1A1HPGDKDM4EGRIK1TAS2R14
SCHEMBL31369064 0.74 ACMSD (0.59) AKR1C2FABP4
SCHEMBL3582859 0.74 ACMSD (0.59) AKR1C2FABP4
SCHEMBL4961644 0.73 LMNA (0.49) CYP2C19TAS2R14LMNAGAA
SCHEMBL27324391 0.73 CES2 (0.39) CES2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL9461001 0.72 LMNA (0.60) ALDH1A1HPGDKDM4EGRIK1TAS2R14

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 2 patents. 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
WO-2010066380-A1 TRIARYL-SULPHONIUM COMPOUNDS, KIT AND METHODS FOR LABELING POSITRON EMITTING ISOTOPES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 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-20120020881-A1 Triaryl-sulphonium compounds, kit and methods for labeling positron emitting isotopes KIT, STS, TST CES2 853/4885ALDH1A1 1638/4885HPGD 3389/4885

“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.