SCHEMBL2536896

SCHEMBL2536896

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.51
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KMT2A Q03164 1/20 0.41
EEF2K O00418 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
KIF11 P52732 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 1/20 0.37
ACP3 P15309 1/20 0.36
FFAR1 O14842 3/20 0.36

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 1.00 HSD11B1 (0.51) HSD11B1CES2CES1KMT2AEEF2K
SCHEMBL2545239 0.86 GRIA4 (0.45) CA1CA2CA9
SCHEMBL2545559 0.82 PNMT (0.56) CES2ACP3
SCHEMBL2538440 0.82 AOC3 (0.45) KMT2A
SCHEMBL2538436 0.82 AOC3 (0.45) KMT2A
SCHEMBL14646436 0.80 ALDH1A1 (0.40) KMT2ACA1CA2CA9
SCHEMBL5157835 0.79 AOC3 (0.45) KMT2A
SCHEMBL2541787 0.79 AOC3 (0.45) KMT2A
SCHEMBL5157831 0.79 AOC3 (0.45) KMT2A
SCHEMBL14646459 0.79 P2RX7 (0.40) HSD11B1

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 HSD11B1 47/4885CES2 96/4885CES1 245/4885

“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.