SCHEMBL2545832

SCHEMBL2545832

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
AOC3 Q16853 3/20 0.55
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52
PPARG P37231 2/20 0.46
GRIN2B Q13224 2/20 0.45
ADRB3 P13945 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL28748927 0.82 L3MBTL1 (0.60) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL28748838 0.82 L3MBTL1 (0.60) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL2539306 0.81 AOC3 (0.50) AOC3ADRB3
SCHEMBL2543561 0.81 AOC3 (0.50) AOC3ADRB3
SCHEMBL2537512 0.81 CHRM2 (0.52) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL5157644 0.81 ADRB3 (0.45) ADRB3
SCHEMBL2541814 0.81 ADRB3 (0.45) ADRB3
SCHEMBL2544966 0.81 ADRB3 (0.45) ADRB3
SCHEMBL2541606 0.79 LMNA (0.48) L3MBTL1AOC3KDM4E
SCHEMBL5159743 0.79 LMNA (0.48) L3MBTL1AOC3KDM4E

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 L3MBTL1 4788/4885AOC3 1932/4885CHRM2 1497/4885

“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.