SCHEMBL3474205

SCHEMBL3474205

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3cccc(NC(N)=O)c3)s2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.61
NR1H2 P55055 7/20 0.61
NR1H3 Q13133 7/20 0.61
CARM1 Q86X55 1/20 0.48
KLKB1 P03952 1/20 0.47
PTGS2 P35354 6/20 0.46
NR3C2 P08235 1/20 0.45
PDPK1 O15530 1/20 0.44
EPHX2 P34913 1/20 0.43
PTGS1 P23219 2/20 0.43

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
SCHEMBL3473052 0.92 RXRA (0.61) RXRANR1H2NR1H3CARM1KLKB1
SCHEMBL27738068 0.90 RXRA (0.60) RXRANR1H2NR1H3CARM1KLKB1
SCHEMBL14624005 0.85 RXRA (0.61) RXRANR1H2NR1H3KLKB1PTGS2
SCHEMBL3471816 0.84 RXRA (0.68) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3473542 0.84 RXRA (0.68) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL12980635 0.83 RXRA (0.69) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3472750 0.83 RXRA (0.61) RXRANR1H2NR1H3KLKB1PTGS2
SCHEMBL3471811 0.82 RXRA (0.65) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3471191 0.82 RXRA (0.65) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3471279 0.82 RXRA (0.60) RXRANR1H2NR1H3KLKB1PTGS2

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 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
CN-101248048-B Imidazole based LXR modulators EXELIXIS INC 2013-08-28 CN 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
CN-101248048-A Imidazole based LXR modulators EXELIXIS INC (US) 2008-08-20 CN 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 (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.