SCHEMBL3471463

SCHEMBL3471463

CC(=O)c1cc(-c2ccc(-c3cccc(S(=O)(=O)C(C)C)c3)s2)n(-c2ncccc2C(F)(F)F)n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 12/20 0.49
NR1H3 Q13133 12/20 0.49
RXRA P19793 6/20 0.49
HSD11B1 P28845 5/20 0.35
KIF18A Q8NI77 1/20 0.34
PIK3CA P42336 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL3477586 0.91 NR1H2 (0.55) NR1H2NR1H3RXRAHSD11B1KIF18A
SCHEMBL3474840 0.91 NR1H2 (0.61) NR1H2NR1H3RXRAHSD11B1PIK3CA
SCHEMBL3473490 0.89 NR1H2 (0.62) NR1H2NR1H3RXRAHSD11B1
SCHEMBL3473202 0.87 NR1H2 (0.54) NR1H2NR1H3RXRAHSD11B1
SCHEMBL3475326 0.83 NR1H2 (0.60) NR1H2NR1H3RXRAHSD11B1PIK3CA
SCHEMBL3475017 0.79 NR1H2 (0.55) NR1H2NR1H3RXRAPIK3CA
SCHEMBL3475904 0.79 NR1H2 (0.55) NR1H2NR1H3RXRAPIK3CA
SCHEMBL3471229 0.79 NR1H2 (0.77) NR1H2NR1H3RXRAPIK3CA
SCHEMBL3473357 0.78 NR1H2 (0.67) NR1H2NR1H3RXRAPIK3CA
SCHEMBL3472298 0.77 RXRA (0.63) NR1H2NR1H3RXRA

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 9 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 claimed
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
US-20100130617-A1 ETHANOLAMINE MODULATORS OF NMDA RECEPTOR AND MUSCARINIC ACETYLCHOLINE RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 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-20100130617-A1 ETHANOLAMINE MODULATORS OF NMDA RECEPTOR AND MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM3, CHRM5, CHRM4 NR1H2 335/4885NR1H3 321/4885RXRA 505/4885
US-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885RXRA 18/4885

“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.