SCHEMBL2540261

SCHEMBL2540261

Cc1ccc(S(=O)(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.70
NPC1 O15118 9/20 0.70
CTNNB1 P35222 2/20 0.64
WNT3A P56704 2/20 0.64
HPGD P15428 5/20 0.58
ALDH1A1 P00352 4/20 0.58
ATM Q13315 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
POLB P06746 3/20 0.54
TSHR P16473 3/20 0.52
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.50
MAOB P27338 1/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.48

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
SCHEMBL2540650 0.83 ATM (0.61) RAB9ANPC1CTNNB1WNT3AHPGD
SCHEMBL2545038 0.82 STAT3 (0.61) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL10027736 0.78 CTNNB1 (1.00) RAB9ANPC1CTNNB1WNT3AHPGD
SCHEMBL15675427 0.77 ALDH1A1 (0.59) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL2541632 0.77 PAX8 (0.65) RAB9ANPC1CTNNB1WNT3AALDH1A1
SCHEMBL2541643 0.77 ENPP2 (0.59) RAB9ANPC1HPGDALDH1A1SMN1; SMN2
SCHEMBL2537406 0.76 KMT2A (0.59) RAB9ANPC1ALDH1A1TP53L3MBTL1
SCHEMBL2542303 0.76 KMT2A (0.59) RAB9ANPC1ALDH1A1POLBKDM4E
SCHEMBL4828375 0.76 NPC1 (0.70) RAB9ANPC1CTNNB1WNT3AHPGD
SCHEMBL1089246 0.76 RECQL (0.60) RAB9ANPC1ALDH1A1SMN1; SMN2TP53

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 RAB9A 2562/4885NPC1 1514/4885CTNNB1 373/4885

“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.