SCHEMBL2544352

SCHEMBL2544352

CS(=O)(=O)OCC(=O)c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.54
KDM4E B2RXH2 5/20 0.54
HPGD P15428 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 3/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.50
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
MEN1 O00255 1/20 0.48
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44

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
SCHEMBL2541643 0.80 ENPP2 (0.59) PTPN1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL6906641 0.80 PTPN1 (0.61) PTPN1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL2540632 0.80 NPC1 (0.50) PTPN1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL4837029 0.78 KDM4E (0.61) PTPN1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL2545544 0.77 NPC1 (0.60) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL2538609 0.76 ALDH1A1 (0.51) KDM4EHPGDALDH1A1MAPTHDAC1
SCHEMBL5702436 0.76 MAPT (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL9589188 0.76 PTPN1 (0.59) PTPN1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL2538592 0.76 HDAC3 (0.56) ALDH1A1MAPTCES2CES1HDAC1
SCHEMBL2536519 0.75 ERCC5 (0.50) HPGDALDH1A1NPC1RAB9AMAPT

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 PTPN1 3519/4885KDM4E 2242/4885HPGD 1433/4885

“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.