SCHEMBL2541990

SCHEMBL2541990

CC(C)(C)c1ccc(C(=O)COS(C)(=O)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 2/20 0.51
RECQL P46063 2/20 0.51
ALOX15 P16050 1/20 0.51
APEX1 P27695 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
EPHX2 P34913 3/20 0.44
NR1H4 Q96RI1 3/20 0.44
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SRD5A2 P31213 1/20 0.43
NR4A2 P43354 1/20 0.41
RXRA P19793 1/20 0.41

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
SCHEMBL2542330 0.85 ALDH1A1 (0.55) MAPTALDH1A1HDAC1SRD5A2
SCHEMBL2544201 0.79 GSK3B (0.50) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL2544347 0.79 PTPN1 (0.48) NPC1RAB9ALMNAMAPK1KMT2A
SCHEMBL5789171 0.79 ALDH1A1 (0.62) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL2540632 0.79 NPC1 (0.50) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL2545278 0.78 NR1H2 (0.37) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL2538592 0.78 HDAC3 (0.56) MAPTALDH1A1HSD17B10CA1CA2
SCHEMBL1474515 0.76 ALDH1A1 (0.58) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL2536867 0.75 MAPT (0.50) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL5169378 0.75 NPC1 (0.53) NPC1RAB9AMAPTLMNAALDH1A1

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 3 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
WO-2008054155-A1 METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE 2-SULFONYLOXY-1-PHENYLETHANOL DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-08 WO 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 NPC1 1514/4885RAB9A 2562/4885MAPT 4643/4885

“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.