SCHEMBL3473874

SCHEMBL3473874

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3cccc(Oc4ccccc4)c3)s2)c1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.67
NR1H3 Q13133 9/20 0.67
RXRA P19793 7/20 0.67
PTGS2 P35354 4/20 0.54
PTGS1 P23219 2/20 0.46
SDHB P21912 1/20 0.46

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
SCHEMBL3471406 0.90 RXRA (0.67) NR1H2NR1H3RXRAPTGS2PTGS1
SCHEMBL3471811 0.89 RXRA (0.65) NR1H2NR1H3RXRAPTGS2PTGS1
SCHEMBL3472855 0.88 RXRA (0.64) NR1H2NR1H3RXRAPTGS2PTGS1
SCHEMBL3472315 0.87 NR1H2 (0.73) NR1H2NR1H3RXRAPTGS2PTGS1
SCHEMBL3471400 0.87 RXRA (0.60) NR1H2NR1H3RXRAPTGS2
SCHEMBL3473141 0.87 RXRA (0.60) NR1H2NR1H3RXRAPTGS2
SCHEMBL12980635 0.86 RXRA (0.69) NR1H2NR1H3RXRAPTGS2PTGS1
SCHEMBL14624005 0.86 RXRA (0.61) NR1H2NR1H3RXRAPTGS2PTGS1
SCHEMBL3473374 0.85 NR1H2 (0.61) NR1H2NR1H3RXRAPTGS2PTGS1
SCHEMBL3473542 0.85 RXRA (0.68) NR1H2NR1H3RXRAPTGS2PTGS1

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 10 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
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 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.