SCHEMBL3489599

SCHEMBL3489599

Cc1ccc(S(=O)(=O)O)cc1CCC1COC(C)(C)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.37
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
ALDH1A1 P00352 3/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL1888652 0.88 CA2 (0.39) CA2TMEM97SIGMAR1ALDH1A1RXRA
SCHEMBL6042316 0.85 CA2 (0.41) CA2TMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL17968478 0.82 TMEM97 (0.42) CA2TMEM97SIGMAR1ALDH1A1RXRA
SCHEMBL7298938 0.79 CA2 (0.41) CA2TMEM97SIGMAR1ALDH1A1RXRA
SCHEMBL7308600 0.79 CA2 (0.41) CA2TMEM97SIGMAR1ALDH1A1RXRA
SCHEMBL23827434 0.77 PPARA (0.42) CA2TMEM97SIGMAR1ALDH1A1MMP2
SCHEMBL4437467 0.75 MAPK14 (0.39) CA2TMEM97SIGMAR1ALDH1A1TSHR
SCHEMBL10596213 0.75 ALDH1A1 (0.41) CA2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1942008 0.74 CA2 (0.40) CA2TMEM97SIGMAR1ALDH1A1RXRA
SCHEMBL2232494 0.74 CA2 (0.40) CA2TMEM97SIGMAR1ALDH1A1RXRA

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-20100076055-A1 Cationic Lipids and Uses Thereof ABBOTT LABORATORIES (US) 2010-03-25 US disclosed
US-20100055169-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-04 US disclosed
WO-2009129387-A2 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-10-22 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 (2 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-20100076055-A1 Cationic Lipids and Uses Thereof LIPA, SGMS2, SGMS1 CA2 1386/4885TMEM97 718/4885SIGMAR1 750/4885
US-20100055169-A1 CATIONIC LIPIDS AND USES THEREOF LIPA, SGMS2, SGMS1 CA2 1386/4885TMEM97 718/4885SIGMAR1 750/4885

“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.