SCHEMBL6042316

SCHEMBL6042316

Cc1ccc(S(=O)(=O)O)cc1CCOCC1COC(C)(C)O1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
F10 P00742 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MAPK14 Q16539 3/20 0.32
HTR7 P34969 1/20 0.32
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
AOC2 O75106 3/20 0.31
MAOB P27338 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3489599 0.85 CA2 (0.37) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL1888652 0.83 CA2 (0.39) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL9010034 0.78 PTGS2 (0.38) ALDH1A1HSD17B10
SCHEMBL4437467 0.77 MAPK14 (0.39) CA2ALDH1A1TMEM97SIGMAR1MAPK14
SCHEMBL6041975 0.76 CA2 (0.49) CA2ALDH1A1NPSR1MMP2MMP9
SCHEMBL7308600 0.75 CA2 (0.41) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL7298938 0.75 CA2 (0.41) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL900004 0.74 GAA (0.38) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL5861877 0.73 AOC2 (0.36) CA2ALDH1A1AOC2
SCHEMBL8664631 0.73 AOC2 (0.36) CA2ALDH1A1AOC2

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-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 CA2 1585/4885F10 1325/4885ALDH1A1 2504/4885

“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.