SCHEMBL2535587

SCHEMBL2535587

Cc1ccc(S(=O)(=O)OC[C@H](O)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.54
PIR O00625 1/20 0.53
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
FFAR1 O14842 2/20 0.44
ADAMTS4 O75173 1/20 0.43
MMP13 P45452 1/20 0.43
ALOX5 P09917 1/20 0.43
PRKCA P17252 1/20 0.42
PRKCD Q05655 1/20 0.42

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
SCHEMBL8476567 0.90 AR (0.49) ARPIRCA12CA1CA2
SCHEMBL7429844 0.87 AR (0.55) ARPIRCA12CA1CA2
SCHEMBL11686413 0.87 AR (0.55) ARPIRCA12CA1CA2
SCHEMBL4920359 0.85 PKM (0.53)
SCHEMBL1206501 0.85 PKM (0.53)
SCHEMBL2545829 0.85 PKM (0.53)
SCHEMBL6980265 0.83 PKM (0.44) CA1CA2CA4CA7CA9
SCHEMBL2539995 0.83 PKM (0.44) CA1CA2CA4CA7CA9
SCHEMBL10448657 0.83 AR (0.51) ARPIRCA12CA1CA2
SCHEMBL8791278 0.82 AR (0.50) ARPIRCA12CA1CA2

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 AR 1139/4885PIR 202/4885CA12 2871/4885

“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.