SCHEMBL3471845

SCHEMBL3471845

CC(C)(O)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(-c2cnccc2C(F)(F)F)n1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.69
NR1H3 Q13133 11/20 0.69
RXRA P19793 9/20 0.69
PIK3CA P42336 1/20 0.42
FLT3 P36888 3/20 0.38
PTGS2 P35354 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL3471511 0.94 NR1H2 (0.68) NR1H2NR1H3RXRAPIK3CAFLT3
SCHEMBL3472293 0.91 NR1H2 (0.69) NR1H2NR1H3RXRAPIK3CAFLT3
SCHEMBL3472269 0.90 NR1H2 (0.85) NR1H2NR1H3RXRAPIK3CAFLT3
SCHEMBL3471286 0.90 NR1H2 (0.56) NR1H2NR1H3RXRAPIK3CAPTGS2
SCHEMBL3471006 0.89 NR1H2 (0.58) NR1H2NR1H3RXRAPTGS2
SCHEMBL15690803 0.89 NR1H2 (0.66) NR1H2NR1H3RXRAPIK3CAFLT3
SCHEMBL3475239 0.88 RXRA (0.68) NR1H2NR1H3RXRAFLT3HSD17B1
SCHEMBL3472024 0.88 RXRA (0.70) NR1H2NR1H3RXRAFLT3HSD17B1
SCHEMBL3471859 0.86 NR1H2 (0.73) NR1H2NR1H3RXRAPIK3CAFLT3
SCHEMBL3470981 0.86 NR1H2 (0.73) NR1H2NR1H3RXRAPIK3CAFLT3

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 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
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 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.