SCHEMBL2539982

SCHEMBL2539982

Cc1ccc(S(=O)(=O)OC[C@@H](O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
AOC3 Q16853 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
HTT P42858 3/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
UGT2B7 P16662 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX12 P18054 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL2541828 1.00 ENPP2 (0.44) ENPP2MEN1KMT2AAOC3CYP1A2
SCHEMBL8481302 0.89 CA12 (0.43) ENPP2MEN1KMT2AAOC3CYP1A2
SCHEMBL6980265 0.85 PKM (0.44) ENPP2MEN1KMT2ACYP2D6HTT
SCHEMBL2539995 0.85 PKM (0.44) ENPP2MEN1KMT2ACYP2D6HTT
SCHEMBL1206501 0.84 PKM (0.53) KMT2ACYP2D6HTTLMNASMN1; SMN2
SCHEMBL2545829 0.84 PKM (0.53) KMT2ACYP2D6HTTLMNASMN1; SMN2
SCHEMBL4920359 0.84 PKM (0.53) KMT2ACYP2D6HTTLMNASMN1; SMN2
SCHEMBL6980159 0.83 PKM (0.41) MEN1KMT2AHTTPKML3MBTL1
SCHEMBL2537512 0.81 CHRM2 (0.52) AOC3PKML3MBTL1ALDH1A1
SCHEMBL2542307 0.81 CYP2D6 (0.50) MEN1KMT2AAOC3CYP1A2CYP2D6

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 ENPP2 563/4885MEN1 284/4885KMT2A 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.