SCHEMBL2544347

SCHEMBL2544347

CS(=O)(=O)OCC(=O)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HTR7 P34969 1/20 0.47
HSD11B1 P28845 2/20 0.46
KMT2A Q03164 2/20 0.45
PAX8 Q06710 1/20 0.45
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PLOD2 O00469 1/20 0.43
MEN1 O00255 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL2544201 0.82 GSK3B (0.50) NPC1RAB9AHSD11B1KMT2ALMNA
SCHEMBL2540632 0.81 NPC1 (0.50) PTPN1NPC1RAB9AHSD11B1KMT2A
SCHEMBL2542330 0.81 ALDH1A1 (0.55) PTPN1HSD11B1CES2CES1
SCHEMBL2538592 0.81 HDAC3 (0.56) HSD11B1CES2CES1
SCHEMBL2541990 0.79 NPC1 (0.51) NPC1RAB9AKMT2ALMNAMAPK1
SCHEMBL2536867 0.78 MAPT (0.50) NPC1RAB9AKMT2ALMNAMEN1
SCHEMBL2537406 0.78 KMT2A (0.59) NPC1RAB9AKMT2APAX8L3MBTL1
SCHEMBL19219873 0.77 NPC1 (0.55) PTPN1NPC1RAB9AHTR7KMT2A
SCHEMBL1121843 0.77 NPC1 (0.55) PTPN1NPC1RAB9AHTR7KMT2A
SCHEMBL2542292 0.77 GSK3B (0.54) HSD11B1KMT2AMAPK1MEN1CES1

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 3519/4885NPC1 1514/4885RAB9A 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.