SCHEMBL2542292

SCHEMBL2542292

CS(=O)(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.54
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 1/20 0.52
HSD11B1 P28845 1/20 0.51
ALOX5 P09917 1/20 0.51
MAPK1 P28482 1/20 0.50
CES1 P23141 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MMP8 P22894 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
SCHEMBL2540780 0.81 PKM (0.65) GSK3BPOLBPKMMEN1KMT2A
SCHEMBL13531982 0.80 GSK3B (0.61) GSK3BPOLBPKMMEN1KMT2A
SCHEMBL10747787 0.78 MAPT (0.62) GSK3BMEN1KMT2AALDH1A1MAPT
SCHEMBL2544347 0.77 PTPN1 (0.48) POLBMEN1KMT2AKDM4EHSD11B1
SCHEMBL2544201 0.77 GSK3B (0.50) GSK3BMEN1KMT2AALDH1A1MAPT
SCHEMBL2545827 0.76 ALDH1A1 (0.54) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL2540632 0.76 NPC1 (0.50) GSK3BPOLBMEN1KMT2AALDH1A1
SCHEMBL14849052 0.76 FBP1 (0.46) POLBKMT2AALDH1A1MAPTKDM4E
SCHEMBL2538592 0.76 HDAC3 (0.56) GSK3BALDH1A1MAPTHSD11B1CES1
SCHEMBL11444536 0.75 GSK3B (0.54) GSK3BPKMMEN1KMT2AALDH1A1

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 GSK3B 1687/4885POLB 2503/4885PKM 394/4885

“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.