SCHEMBL2543077

SCHEMBL2543077

COc1ccccc1C(=O)COS(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 2/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPC1 O15118 2/20 0.54
CTSD P07339 1/20 0.50
RAB9A P51151 2/20 0.49
CTNNB1 P35222 3/20 0.48
WNT3A P56704 3/20 0.48
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC1 Q13547 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL5702466 0.87 LMNA (0.43) L3MBTL1ALDH1A1KMT2AHTTLMNA
SCHEMBL2534455 0.81 KDM4E (0.45) ALDH1A1KMT2ALMNASMN1; SMN2CTNNB1
SCHEMBL29639741 0.81 L3MBTL1 (0.64) L3MBTL1ALDH1A1KMT2AHTTLMNA
SCHEMBL598461 0.81 L3MBTL1 (0.64) L3MBTL1ALDH1A1KMT2AHTTLMNA
SCHEMBL2540768 0.81 ALDH1A1 (0.50) L3MBTL1ALDH1A1KMT2AHTTLMNA
SCHEMBL19862493 0.80 L3MBTL1 (0.49) L3MBTL1ALDH1A1KMT2AHTTLMNA
SCHEMBL2544901 0.79 ERCC5 (0.47) ALDH1A1KMT2ALMNASMN1; SMN2NPC1
SCHEMBL19865185 0.78 L3MBTL1 (0.47) L3MBTL1ALDH1A1KMT2AHTTLMNA
SCHEMBL21128714 0.77 NPC1 (0.83) L3MBTL1ALDH1A1KMT2AHTTLMNA
SCHEMBL29987209 0.77 NPC1 (0.83) L3MBTL1ALDH1A1KMT2AHTTLMNA

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 L3MBTL1 4788/4885ALDH1A1 24/4885KMT2A 2462/4885

“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.