SCHEMBL2545838

SCHEMBL2545838

COc1ccc(C)cc1C(=O)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.48
STAT3 P40763 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
GFER P55789 1/20 0.44
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
HSD11B1 P28845 1/20 0.43
APP P05067 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2540768 0.86 ALDH1A1 (0.50) STAT3ALDH1A1GAAKMT2AMAPT
SCHEMBL2534455 0.84 KDM4E (0.45) PAX8HPGDALDH1A1KDM4EKMT2A
SCHEMBL2541632 0.84 PAX8 (0.65) PAX8STAT3ALDH1A1GAACTNNB1
SCHEMBL13155413 0.80 CA12 (0.43) STAT3CTDSP1SIRT5ALDH1A1KDM4E
SCHEMBL2537522 0.78 ALDH1A1 (0.52) PAX8ALDH1A1GAAKMT2AMEN1
SCHEMBL2545038 0.77 STAT3 (0.61) PAX8STAT3CTDSP1SIRT5ALDH1A1
SCHEMBL2536871 0.76 MAPT (0.54) STAT3HPGDALDH1A1KDM4EGAA
SCHEMBL11234725 0.76 STAT3 (0.55) STAT3CTDSP1SIRT5ALDH1A1GAA
SCHEMBL7342597 0.75 STAT3 (0.57) STAT3CTDSP1SIRT5ALDH1A1GAA
SCHEMBL2542705 0.75 KMT2A (0.47) STAT3CTDSP1SIRT5ALDH1A1KDM4E

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-8044245-B2 Method for the preparation of optically active 2-sulfonyloxy-1-phenylethanol derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-10-25 US disclosed
US-20100063317-A1 METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE 2-SULFONYLOXY-1-PHENYLETHANOL DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-11 US disclosed
WO-2008054155-A1 METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE 2-SULFONYLOXY-1-PHENYLETHANOL DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-08 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-20100063317-A1 METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE 2-SULFONYLOXY-1-PHENYLETHANOL DERIVATIVES FOXO1, ENO1, SULT1A1 PAX8 2783/4885STAT3 4739/4885CTDSP1 4232/4885

“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.