SCHEMBL8225833

SCHEMBL8225833

Cc1ccc(S(=O)(=O)OCC2Oc3cccc(Br)c3O2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
HTR6 P50406 1/20 0.33
THPO P40225 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
STAT3 P40763 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MEN1 O00255 1/20 0.33
ESR1 P03372 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL21198466 0.83 LMNA (0.46) CA2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL8225934 0.83 LMNA (0.46) CA2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4963357 0.82 CYP2D6 (0.39) CA2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4959882 0.82 ALDH1A1 (0.39) CA2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4443279 0.78 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2D6TSHRMAPK1
SCHEMBL4225253 0.78 ALDH1A1 (0.43) CA2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL12134880 0.78 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2D6TSHRMAPK1
SCHEMBL14046970 0.78 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2D6TSHRMAPK1
SCHEMBL4224280 0.78 ALDH1A1 (0.41) CA2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL3208378 0.75 CYP2D6 (0.45) ALDH1A1CYP3A4CYP2D6TSHRMAPK1

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-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 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-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A CA2 4153/4885ALDH1A1 814/4885CYP3A4 284/4885

“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.