SCHEMBL2536099

SCHEMBL2536099

CS(=O)(=O)OC[C@H](O)c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
AOC3 Q16853 1/20 0.47
CYP2D6 P10635 3/20 0.46
NFKB1 P19838 1/20 0.46
HIF1A Q16665 1/20 0.46
BLM P54132 1/20 0.45
CASP1 P29466 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.36
PER2 O15055 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
ACP3 P15309 1/20 0.35
CXCL8 P10145 1/20 0.35

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
SCHEMBL4318024 0.84 ADRB2 (0.45) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL17749157 0.82 CASP1 (0.39) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL2540001 0.81 CA1 (0.43) CYP1A2L3MBTL1GAA
SCHEMBL25345455 0.80 CYP1A2 (0.43) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL2541083 0.80 CYP1A2 (0.43) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL11857198 0.77 ADRB2 (0.35) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL11854528 0.77 NISCH (0.36) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL2542325 0.76 LMNA (0.48) AOC3CYP2D6HIF1ACYP1A2L3MBTL1
SCHEMBL5159743 0.76 LMNA (0.48) AOC3CYP2D6HIF1ACYP1A2L3MBTL1
SCHEMBL2541606 0.76 LMNA (0.48) AOC3CYP2D6HIF1ACYP1A2L3MBTL1

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 ADRB2 156/4885ADRB1 135/4885AOC3 1932/4885

“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.