SCHEMBL2545239

SCHEMBL2545239

CC(C)(C)c1ccc([C@@H](O)COS(C)(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 4/20 0.45
ATM Q13315 1/20 0.43
GPR35 Q9HC97 1/20 0.43
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL2540268 0.86 HSD11B1 (0.51) CA1CA2CA9
SCHEMBL2536896 0.86 HSD11B1 (0.51) CA1CA2CA9
SCHEMBL14646436 0.81 ALDH1A1 (0.40) GRIA4LMNAHTTCA1CA2
SCHEMBL5157831 0.80 AOC3 (0.45) LMNA
SCHEMBL5157835 0.80 AOC3 (0.45) LMNA
SCHEMBL2541787 0.80 AOC3 (0.45) LMNA
SCHEMBL2538440 0.80 AOC3 (0.45) LMNAHTTALDH1A1
SCHEMBL2538436 0.80 AOC3 (0.45) LMNAHTTALDH1A1
SCHEMBL5159743 0.80 LMNA (0.48) LMNAALDH1A1
SCHEMBL2542325 0.80 LMNA (0.48) LMNAALDH1A1

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 GRIA4 3360/4885ATM 4454/4885GPR35 1205/4885

“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.