SCHEMBL3473396

SCHEMBL3473396

CCc1cccc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.60
GAA P10253 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.47
PFKFB3 Q16875 4/20 0.44
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.42
TYMS P04818 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PFKFB4 Q16877 1/20 0.41
PKM P14618 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL3474039 0.89 PTGES2 (0.61) PTGES2GAAL3MBTL1MAPTPOLB
SCHEMBL3473369 0.86 PTGES2 (0.58) PTGES2GAAL3MBTL1MAPTPOLB
SCHEMBL1946248 0.85 PTGES2 (0.55) PTGES2GAAL3MBTL1MAPTPOLB
SCHEMBL15690858 0.84 PTGES2 (0.60) PTGES2GAAL3MBTL1MAPTPOLB
SCHEMBL3473288 0.83 GAA (0.64) PTGES2GAAL3MBTL1MAPTPOLB
SCHEMBL3473055 0.83 PTGES2 (0.59) PTGES2GAAL3MBTL1MAPTPOLB
SCHEMBL15690849 0.83 PTGES2 (0.63) PTGES2GAAL3MBTL1MAPTPOLB
SCHEMBL3472654 0.81 PTGES2 (0.64) PTGES2GAAL3MBTL1MAPTPOLB
SCHEMBL3472410 0.81 PTGES2 (0.64) PTGES2GAAL3MBTL1MAPTPOLB
SCHEMBL3473873 0.81 PTGES2 (0.63) PTGES2GAAL3MBTL1MAPTPOLB

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 PTGES2 1035/4885GAA 2305/4885L3MBTL1 2172/4885

“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.