SCHEMBL2545544

SCHEMBL2545544

COc1cccc(C(=O)COS(C)(=O)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
POLB P06746 1/20 0.60
RAB9A P51151 1/20 0.60
BLM P54132 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HSD11B1 P28845 1/20 0.58
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
CHRM2 P08172 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 1/20 0.53
PARP1 P09874 1/20 0.53
STS P08842 1/20 0.51

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
SCHEMBL15183858 0.83 NPC1 (0.62) NPC1POLBRAB9ABLMSMN1; SMN2
SCHEMBL11531489 0.83 HSD11B1 (0.67) NPC1POLBRAB9ABLMSMN1; SMN2
SCHEMBL341047 0.82 CES2 (0.65) NPC1POLBRAB9ABLMSMN1; SMN2
SCHEMBL29689841 0.81 HSD11B1 (0.69) NPC1POLBRAB9ABLMSMN1; SMN2
SCHEMBL2540840 0.81 CHRM2 (0.54) NPC1POLBRAB9ABLMSMN1; SMN2
SCHEMBL2538592 0.81 HDAC3 (0.56) HSD11B1CES2CES1ALDH1A1HTT
SCHEMBL2536519 0.80 ERCC5 (0.50) NPC1RAB9ACHRM2CHRM1CHRM3
SCHEMBL30758862 0.79 CES2 (0.69) NPC1POLBRAB9ABLMSMN1; SMN2
SCHEMBL11248287 0.79 CES2 (0.69) NPC1POLBRAB9ABLMSMN1; SMN2
SCHEMBL2540632 0.79 NPC1 (0.50) NPC1POLBRAB9ASMN1; SMN2HSD11B1

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 NPC1 1514/4885POLB 2503/4885RAB9A 2562/4885

“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.