SCHEMBL2537512

SCHEMBL2537512

COc1cccc([C@@H](O)COS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
AOC3 Q16853 2/20 0.48
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
GRIN2B Q13224 2/20 0.43
STAT1 P42224 1/20 0.42
PPARG P37231 2/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 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
SCHEMBL6976128 0.88 CHRM2 (0.40) CHRM2CHRM1CHRM3L3MBTL1AOC3
SCHEMBL6975729 0.88 CHRM2 (0.40) CHRM2CHRM1CHRM3L3MBTL1AOC3
SCHEMBL6980159 0.87 PKM (0.41) CHRM2CHRM1CHRM3L3MBTL1MAPT
SCHEMBL2538585 0.84 ALDH1A1 (0.51) AOC3MAPTALDH1A1
SCHEMBL2545258 0.84 ALDH1A1 (0.51) AOC3MAPTALDH1A1
SCHEMBL767895 0.84 ADRB3 (0.46) TP53MAPTPKMALDH1A1
SCHEMBL768346 0.84 ADRB3 (0.46) TP53MAPTPKMALDH1A1
SCHEMBL2536163 0.84 ADRB3 (0.46) TP53MAPTPKMALDH1A1
SCHEMBL4920359 0.83 PKM (0.53) PKMALDH1A1
SCHEMBL2545829 0.83 PKM (0.53) PKMALDH1A1

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 CHRM2 1497/4885CHRM1 1158/4885CHRM3 2204/4885

“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.