SCHEMBL2539962

SCHEMBL2539962

CC(=O)Oc1ccc(C(O)COS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
MAPT P10636 5/20 0.48
PKM P14618 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 3/20 0.43
ENPP3 O14638 2/20 0.39
ENPP1 P22413 2/20 0.39
ENPP2 Q13822 2/20 0.39
STAT3 P40763 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGS2 P35354 1/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 2/20 0.37
PPARG P37231 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL2539995 0.88 PKM (0.44) MAPTPKMALDH1A1KMT2AENPP3
SCHEMBL6980265 0.88 PKM (0.44) MAPTPKMALDH1A1KMT2AENPP3
SCHEMBL2538585 0.85 ALDH1A1 (0.51) LMNAMAPTALDH1A1KMT2ANPC1
SCHEMBL2545258 0.85 ALDH1A1 (0.51) LMNAMAPTALDH1A1KMT2ANPC1
SCHEMBL3181029 0.81 ALDH1A1 (0.42) LMNAPKMALDH1A1KMT2AMEN1
SCHEMBL3181035 0.81 ALDH1A1 (0.42) LMNAPKMALDH1A1KMT2AMEN1
SCHEMBL2539955 0.81 ALDH1A1 (0.42) LMNAPKMALDH1A1KMT2AMEN1
SCHEMBL2534458 0.81 UTS2R (0.42) LMNAMAPTPKMPOLBALDH1A1
SCHEMBL2545371 0.81 UTS2R (0.42) LMNAMAPTPKMPOLBALDH1A1
SCHEMBL4920359 0.81 PKM (0.53) LMNAPKMALDH1A1KMT2ASTAT3

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 LMNA 4025/4885MAPT 4643/4885PKM 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.