SCHEMBL2544896

SCHEMBL2544896

Cc1ccc(S(=O)(=O)OCC(=O)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.55
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 2/20 0.53
NPC1 O15118 1/20 0.53
MAOB P27338 2/20 0.52
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
EGFR P00533 2/20 0.51
PIR O00625 1/20 0.51
PARP10 Q53GL7 2/20 0.50
LMNA P02545 1/20 0.49
STAT3 P40763 1/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
PLA2G4B P0C869 1/20 0.49
CA12 O43570 1/20 0.49

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
SCHEMBL1089246 0.85 RECQL (0.60) RAB9ASMN1; SMN2MAPK1NPC1LMNA
SCHEMBL2545038 0.83 STAT3 (0.61) RAB9ANPC1LMNASTAT3ALDH1A1
SCHEMBL6760573 0.82 MAOB (0.60) ARRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL2536871 0.81 MAPT (0.54) RAB9ASMN1; SMN2NPC1EGFRLMNA
SCHEMBL15675427 0.81 ALDH1A1 (0.59) RAB9ANPC1LMNASTAT3ALDH1A1
SCHEMBL10983891 0.79 AR (0.58) ARPIRCA12CA1CA2
SCHEMBL2539991 0.79 LMNA (0.54) RAB9ANPC1LMNASTAT3ALDH1A1
SCHEMBL7429844 0.79 AR (0.55) ARRAB9ASMN1; SMN2PIRALDH1A1
SCHEMBL11686413 0.79 AR (0.55) ARRAB9ASMN1; SMN2PIRALDH1A1
SCHEMBL2535587 0.78 AR (0.54) 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 3 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
WO-2008054155-A1 METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE 2-SULFONYLOXY-1-PHENYLETHANOL DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-08 WO 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 1139/4885RAB9A 2562/4885SMN1; SMN2 2622/4885

“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.