SCHEMBL3471904

SCHEMBL3471904

Cc1cc(-c2cccc(S(C)(=O)=O)c2)ccc1-n1nc(C(C)(C)O)cc1-c1ccccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 15/20 0.53
NR1H3 Q13133 14/20 0.53
RXRA P19793 10/20 0.53
PTGS2 P35354 1/20 0.41
HSD11B1 P28845 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL3472895 0.90 NR1H2 (0.61) NR1H2NR1H3RXRAPTGS2
SCHEMBL3471738 0.87 NR1H2 (0.62) NR1H2NR1H3RXRAPTGS2HSD11B1
SCHEMBL3472903 0.86 NR1H2 (0.50) NR1H2NR1H3RXRAPTGS2
SCHEMBL3471700 0.84 NR1H2 (0.59) NR1H2NR1H3RXRA
SCHEMBL3470771 0.84 NR1H2 (0.67) NR1H2NR1H3RXRAPTGS2
SCHEMBL3472574 0.82 NR1H2 (0.50) NR1H2NR1H3RXRA
SCHEMBL3472530 0.82 NR1H2 (0.45) NR1H2NR1H3RXRAHSD11B1
SCHEMBL3579036 0.82 NR1H2 (0.61) NR1H2NR1H3RXRAPTGS2HSD11B1
SCHEMBL2257260 0.81 NR1H2 (0.62) NR1H2NR1H3RXRA
SCHEMBL3472443 0.80 PTGS2 (0.62) 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 2 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-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 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.