SCHEMBL3474698

SCHEMBL3474698

CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 3/20 0.48
PTGES2 Q9H7Z7 1/20 0.48
TP53 P04637 5/20 0.46
ALDH1A1 P00352 4/20 0.44
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 3/20 0.42
HDAC6 Q9UBN7 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.38

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
SCHEMBL3478666 0.93 NPC1 (0.49) NPC1GAAL3MBTL1POLBPTGES2
SCHEMBL3471069 0.90 TP53 (0.54) NPC1GAAL3MBTL1POLBPTGES2
SCHEMBL1594800 0.78 GAA (0.61) NPC1GAAL3MBTL1POLBPTGES2
SCHEMBL15690853 0.77 GAA (0.49) NPC1GAAL3MBTL1POLBPTGES2
SCHEMBL5232747 0.77 GAA (0.47) NPC1GAAL3MBTL1POLBPTGES2
SCHEMBL1593778 0.73 PTGES2 (0.67) NPC1GAAL3MBTL1POLBPTGES2
SCHEMBL3010846 0.73 GAA (0.64) NPC1GAAL3MBTL1POLBPTGES2
SCHEMBL2633819 0.73 GAA (0.67) NPC1GAAL3MBTL1POLBPTGES2
SCHEMBL3473539 0.71 PTGES2 (0.65) NPC1GAAL3MBTL1POLBPTGES2
SCHEMBL3472654 0.70 PTGES2 (0.64) NPC1GAAL3MBTL1POLBPTGES2

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-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

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 NPC1 41/4885GAA 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.