SCHEMBL3473293

SCHEMBL3473293

CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.54
NR1H2 P55055 3/20 0.54
NR1H3 Q13133 3/20 0.54
ALDH1A1 P00352 1/20 0.52
MAPT P10636 7/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 1/20 0.50
PTGS2 P35354 4/20 0.47
THRB P10828 1/20 0.47
ORAI1 Q96D31 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
PTGS1 P23219 1/20 0.44
EPHX2 P34913 1/20 0.44

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
SCHEMBL3472748 0.92 MAPT (0.51) RXRANR1H2NR1H3MAPTPOLB
SCHEMBL3473738 0.90 PTGS2 (0.57) RXRANR1H2NR1H3MAPTPOLB
SCHEMBL3471118 0.89 MAPT (0.57) RXRANR1H2NR1H3MAPTPOLB
SCHEMBL3473704 0.88 RXRA (0.55) RXRANR1H2NR1H3MAPTPOLB
SCHEMBL3471277 0.86 MAPT (0.57) RXRANR1H2NR1H3MAPTPOLB
SCHEMBL3471938 0.86 ORAI1 (0.60) RXRANR1H2NR1H3MAPTPOLB
SCHEMBL3471324 0.86 MAPT (0.59) RXRANR1H2NR1H3MAPTPOLB
SCHEMBL3474142 0.86 MAPT (0.59) RXRANR1H2NR1H3MAPTPOLB
SCHEMBL3472102 0.86 MAPT (0.61) RXRANR1H2NR1H3MAPTPOLB
SCHEMBL3474844 0.85 RXRA (0.55) RXRANR1H2NR1H3ALDH1A1MAPT

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 RXRA 18/4885NR1H2 1/4885NR1H3 2/4885

“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.