SCHEMBL4621793

SCHEMBL4621793

CC1(C)O[C@H]2O[C@@](COC(=O)c3ccccc3)(COS(C)(=O)=O)[C@@H](OCc3ccccc3)[C@H]2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
GSTP1 P09211 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 2/20 0.33
BCHE P06276 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL22335650 0.92 ALDH1A1 (0.52) ALDH1A1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL25277740 0.90 ALDH1A1 (0.34) ALDH1A1KMT2AGSTP1
SCHEMBL1097047 0.86 ALDH1A1 (0.32) ALDH1A1GSTP1
SCHEMBL5845679 0.84 ALDH1A1 (0.31) ALDH1A1GSTP1
SCHEMBL4621539 0.79 ALDH1A1 (0.35) ALDH1A1KMT2AHPGDGSTP1BCHE
SCHEMBL133350 0.79 APLNR (0.36) ALDH1A1KMT2ABCHENPSR1
SCHEMBL14511263 0.79 APLNR (0.36) ALDH1A1KMT2ABCHENPSR1
SCHEMBL6857256 0.78 GSTP1 (0.41) ALDH1A1TDP1GSTP1BCHEMAPK1
SCHEMBL1097213 0.78 GSTP1 (0.41) ALDH1A1TDP1GSTP1BCHEMAPK1
SCHEMBL5847100 0.78 ALDH1A1 (0.34) ALDH1A1KMT2AHPGDGSTP1POLB

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
EP-1882748-A2 A population of nucleic acids including a subpopulation of LNA oligomers Exiqon A/S (DK) 2008-01-30 EP disclosed
US-20060147924-A1 Population of nucleic acids including a subpopulation of lna oligomers EXIQON A/S (DK) 2006-07-06 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-20060147924-A1 Population of nucleic acids including a subpopulation of lna oligomers NSUN2, NCL, RNGTT ALDH1A1 2855/4885SLC6A2 357/4885SLC6A3 771/4885

“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.