SCHEMBL2537530

SCHEMBL2537530

Cc1ccc(S(=O)(=O)OC[C@H](O)c2ccccc2Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.38
VDR P11473 1/20 0.38
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
THPO P40225 1/20 0.37
STAT3 P40763 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 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
SCHEMBL2544318 0.84 KMT2A (0.46) DHODHALDH1A1KMT2APKMVDR
SCHEMBL25345455 0.84 CYP1A2 (0.43) DHODHALDH1A1KMT2APOLBPKM
SCHEMBL2541083 0.84 CYP1A2 (0.43) DHODHALDH1A1KMT2APOLBPKM
SCHEMBL4920359 0.80 PKM (0.53) DHODHALDH1A1KMT2APKMVDR
SCHEMBL2545829 0.80 PKM (0.53) DHODHALDH1A1KMT2APKMVDR
SCHEMBL1206501 0.80 PKM (0.53) DHODHALDH1A1KMT2APKMVDR
SCHEMBL23210214 0.78 VDR (0.38) DHODHALDH1A1KMT2APOLBVDR
SCHEMBL6980265 0.78 PKM (0.44) DHODHALDH1A1KMT2APKMVDR
SCHEMBL2539995 0.78 PKM (0.44) DHODHALDH1A1KMT2APKMVDR
SCHEMBL2539603 0.77 GFER (0.43) ALDH1A1KMT2APOLBLMNACYP3A4

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 DHODH 1252/4885ALDH1A1 24/4885KMT2A 2462/4885

“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.