SCHEMBL2538440

SCHEMBL2538440

CS(=O)(=O)OC[C@H](O)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.45
ADRB3 P13945 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.36
EPHX2 P34913 2/20 0.36
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
LMNA P02545 3/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
HTT P42858 1/20 0.35
SCN9A Q15858 1/20 0.35
GLA P06280 1/20 0.35
BLM P54132 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL2538436 1.00 AOC3 (0.45) AOC3ADRB3MEN1KMT2AKDM4E
SCHEMBL14646436 0.84 ALDH1A1 (0.40) ADRB3MEN1KMT2AKDM4EALDH1A1
SCHEMBL5157835 0.83 AOC3 (0.45) AOC3ADRB3MEN1KMT2AKDM4E
SCHEMBL14646416 0.83 CES2 (0.37) ADRB3MEN1KMT2AKDM4ELMNA
SCHEMBL2541787 0.83 AOC3 (0.45) AOC3ADRB3MEN1KMT2AKDM4E
SCHEMBL5157831 0.83 AOC3 (0.45) AOC3ADRB3MEN1KMT2AKDM4E
SCHEMBL5159743 0.82 LMNA (0.48) AOC3KDM4EALDH1A1LMNA
SCHEMBL2542325 0.82 LMNA (0.48) AOC3KDM4EALDH1A1LMNA
SCHEMBL2541606 0.82 LMNA (0.48) AOC3KDM4EALDH1A1LMNA
SCHEMBL2536896 0.82 HSD11B1 (0.51) KMT2A

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 2 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

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 AOC3 1932/4885ADRB3 653/4885MEN1 284/4885

“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.