SCHEMBL2539995

SCHEMBL2539995

Cc1ccc([C@@H](O)COS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
STAT3 P40763 2/20 0.43
DHODH Q02127 1/20 0.40
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 7/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL6980265 1.00 PKM (0.44) PKMSTAT3DHODHGAACYP2D6
SCHEMBL3181029 0.93 ALDH1A1 (0.42) PKMGAAALDH1A1MEN1KMT2A
SCHEMBL3181035 0.93 ALDH1A1 (0.42) PKMGAAALDH1A1MEN1KMT2A
SCHEMBL2545371 0.93 UTS2R (0.42) PKMGAAALDH1A1MAPTKMT2A
SCHEMBL2534458 0.93 UTS2R (0.42) PKMGAAALDH1A1MAPTKMT2A
SCHEMBL2539955 0.93 ALDH1A1 (0.42) PKMGAAALDH1A1MEN1KMT2A
SCHEMBL1206501 0.92 PKM (0.53) PKMSTAT3DHODHCYP2D6ALDH1A1
SCHEMBL4920359 0.92 PKM (0.53) PKMSTAT3DHODHCYP2D6ALDH1A1
SCHEMBL2545829 0.92 PKM (0.53) PKMSTAT3DHODHCYP2D6ALDH1A1
SCHEMBL2538585 0.91 ALDH1A1 (0.51) GAAALDH1A1MAPTMEN1KMT2A

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 2 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

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 PKM 394/4885STAT3 4739/4885DHODH 1252/4885

“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.