SCHEMBL2540650

SCHEMBL2540650

CS(=O)(=O)OCC(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.61
HPGD P15428 3/20 0.58
NPC1 O15118 8/20 0.58
RAB9A P51151 7/20 0.58
CTNNB1 P35222 5/20 0.56
WNT3A P56704 3/20 0.56
MAPT P10636 2/20 0.55
POLB P06746 2/20 0.55
TSHR P16473 3/20 0.55
PKM P14618 1/20 0.55
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53

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
SCHEMBL2540261 0.83 RAB9A (0.70) ATMHPGDNPC1RAB9ACTNNB1
SCHEMBL4828375 0.81 NPC1 (0.70) ATMHPGDNPC1RAB9ACTNNB1
SCHEMBL4784580 0.78 CTNNB1 (0.38) ATMHPGDNPC1RAB9ACTNNB1
SCHEMBL1092875 0.77 ATM (1.00) ATMHPGDNPC1RAB9ACTNNB1
SCHEMBL653025 0.76 PKM (0.87) ATMHPGDCTNNB1WNT3ATSHR
SCHEMBL1535157 0.75 ATM (0.72) ATMHPGDNPC1RAB9ACTNNB1
SCHEMBL4831672 0.75 ATM (0.72) ATMHPGDNPC1RAB9ACTNNB1
SCHEMBL23229036 0.75 NPC1 (0.66) ATMHPGDNPC1RAB9ACTNNB1
SCHEMBL13516975 0.75 MEN1 (0.83) ATMHPGDNPC1RAB9ACTNNB1
SCHEMBL2394331 0.74 NPC1 (0.69) ATMHPGDNPC1RAB9ACTNNB1

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 ATM 4454/4885HPGD 1433/4885NPC1 1514/4885

“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.