SCHEMBL2537522

SCHEMBL2537522

COc1ccc(C(=O)COS(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
KMT2A Q03164 8/20 0.50
MEN1 O00255 6/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PAX8 Q06710 1/20 0.49
LMNA P02545 3/20 0.48
RAB9A P51151 1/20 0.48
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL2541632 0.86 PAX8 (0.65) ALDH1A1SMN1; SMN2GAAMAPTCYP3A4
SCHEMBL2545827 0.84 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL4138159 0.80 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL2540780 0.79 PKM (0.65) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL2545038 0.78 STAT3 (0.61) ALDH1A1KMT2AMAPTPAX8LMNA
SCHEMBL2545838 0.78 PAX8 (0.48) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL2536871 0.76 MAPT (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL2536579 0.76 GRM8 (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL28466010 0.76 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL13785071 0.76 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT

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 ALDH1A1 24/4885SMN1; SMN2 2622/4885KMT2A 2462/4885

“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.