SCHEMBL3473288

SCHEMBL3473288

CC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
PTGES2 Q9H7Z7 1/20 0.59
PFKFB3 Q16875 7/20 0.52
PFKFB4 Q16877 1/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TYMS P04818 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL15690858 0.83 PTGES2 (0.60) GAAL3MBTL1PTGES2PFKFB3PFKFB4
SCHEMBL3473396 0.83 PTGES2 (0.60) GAAL3MBTL1PTGES2PFKFB3PFKFB4
SCHEMBL15690849 0.82 PTGES2 (0.63) GAAL3MBTL1PTGES2PFKFB3MAPT
SCHEMBL15480577 0.82 GAA (0.63) GAAL3MBTL1PTGES2PFKFB3PFKFB4
SCHEMBL3473369 0.81 PTGES2 (0.58) GAAL3MBTL1PTGES2PFKFB3PFKFB4
SCHEMBL3472654 0.81 PTGES2 (0.64) GAAL3MBTL1PTGES2PFKFB3PFKFB4
SCHEMBL3472410 0.81 PTGES2 (0.64) GAAL3MBTL1PTGES2PFKFB3PFKFB4
SCHEMBL3473873 0.80 PTGES2 (0.63) GAAL3MBTL1PTGES2PFKFB3MAPT
SCHEMBL3474065 0.79 PTGES2 (0.64) GAAL3MBTL1PTGES2PFKFB3MAPT
SCHEMBL12334074 0.78 GAA (0.61) GAAL3MBTL1PTGES2PFKFB3MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 GAA 2305/4885L3MBTL1 2172/4885PTGES2 1035/4885

“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.