SCHEMBL3472934

SCHEMBL3472934

CC(C)(O)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2Cl)n(-c2cccnc2C(F)(F)F)n1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.56
NR1H3 Q13133 14/20 0.56
RXRA P19793 13/20 0.56
PTGS2 P35354 2/20 0.38
CYP2C9 P11712 1/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL3471964 0.91 NR1H2 (0.50) NR1H2NR1H3RXRAPTGS2CYP2C9
SCHEMBL3473570 0.86 NR1H2 (0.47) NR1H2NR1H3RXRACYP2C9
SCHEMBL3472559 0.86 NR1H2 (0.73) NR1H2NR1H3RXRAPTGS2
SCHEMBL3471813 0.84 NR1H2 (0.54) NR1H2NR1H3RXRA
SCHEMBL3472604 0.83 NR1H2 (0.70) NR1H2NR1H3RXRAPTGS2KCNH2
SCHEMBL3472382 0.83 NR1H2 (0.46) NR1H2NR1H3RXRA
SCHEMBL2256963 0.82 NR1H2 (0.59) NR1H2NR1H3RXRAKCNH2
SCHEMBL3472179 0.81 NR1H2 (0.45) NR1H2NR1H3RXRA
SCHEMBL3470923 0.81 NR1H2 (0.54) NR1H2NR1H3RXRAPTGS2KCNH2
SCHEMBL3472256 0.80 NR1H2 (0.67) NR1H2NR1H3RXRAPTGS2

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 7 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
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.