SCHEMBL2539948

SCHEMBL2539948

Cc1ccc(S(=O)(=O)OC[C@H](O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.49
FFAR1 O14842 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CDK7 P50613 1/20 0.46
CCNH P51946 1/20 0.46
CCNA1 P78396 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
CES2 O00748 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.42
GRIN2B Q13224 4/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL6980159 0.85 PKM (0.41) MEN1KMT2AGAAMAPTHTT
SCHEMBL2545559 0.82 PNMT (0.56) PNMTCES2GRIN2B
SCHEMBL768346 0.81 ADRB3 (0.46) KMT2AMAPTTP53ALOX12ALDH1A1
SCHEMBL2536163 0.81 ADRB3 (0.46) KMT2AMAPTTP53ALOX12ALDH1A1
SCHEMBL767895 0.81 ADRB3 (0.46) KMT2AMAPTTP53ALOX12ALDH1A1
SCHEMBL28896725 0.81 HSD11B1 (0.56) PNMTFFAR1CDK1CCNB1CCNA2
SCHEMBL7265071 0.81 FFAR1 (0.42) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL4920359 0.81 PKM (0.53) KMT2ALMNAHTTALDH1A1
SCHEMBL1206501 0.81 PKM (0.53) KMT2ALMNAHTTALDH1A1
SCHEMBL2545829 0.81 PKM (0.53) KMT2ALMNAHTTALDH1A1

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-4588749-A ANTIOBESITY AND HYPOGLYCEMIC AGENTS BEECHAM GROUP P.L.C. (GB) 1986-05-13 US disclosed
EP-0040000-B1 ARYLETHANOLAMINE DERIVATIVES, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1983-10-12 EP disclosed
EP-0040000-A1 Arylethanolamine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-11-18 EP 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 PNMT 226/4885FFAR1 1731/4885CDK1 4271/4885

“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.