SCHEMBL2539955

SCHEMBL2539955

Cc1ccc(S(=O)(=O)OC[C@H](O)c2ccc(F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 3/20 0.42
PAX8 Q06710 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
PKM P14618 1/20 0.40
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AOC3 Q16853 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL3181035 1.00 ALDH1A1 (0.42) ALDH1A1KMT2APAX8BCHEACHE
SCHEMBL3181029 1.00 ALDH1A1 (0.42) ALDH1A1KMT2APAX8BCHEACHE
SCHEMBL6980265 0.93 PKM (0.44) ALDH1A1KMT2ABCHEACHEPKM
SCHEMBL2539995 0.93 PKM (0.44) ALDH1A1KMT2ABCHEACHEPKM
SCHEMBL2545371 0.86 UTS2R (0.42) ALDH1A1KMT2ABCHEACHEEGFR
SCHEMBL2534458 0.86 UTS2R (0.42) ALDH1A1KMT2ABCHEACHEEGFR
SCHEMBL1206501 0.85 PKM (0.53) ALDH1A1KMT2APKMLMNAHTT
SCHEMBL4920359 0.85 PKM (0.53) ALDH1A1KMT2APKMLMNAHTT
SCHEMBL2545829 0.85 PKM (0.53) ALDH1A1KMT2APKMLMNAHTT
SCHEMBL2538585 0.84 ALDH1A1 (0.51) ALDH1A1KMT2ABCHEACHEEGFR

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 5 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
US-20100016374-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
EP-2001831-A2 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF GLAXO GROUP LIMITED (GB) 2008-12-17 EP disclosed
WO-2007113309-A2 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-10-11 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 (2 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 ALDH1A1 24/4885KMT2A 2462/4885PAX8 2783/4885
US-20100016374-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof SLC6A5, SLC6A9, SLC6A19 ALDH1A1 3993/4885KMT2A 3371/4885PAX8 1775/4885

“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.