SCHEMBL12979527

SCHEMBL12979527

[C-]#[N+]C(C)(C)c1cc(-c2ccc(-c3cccc(S(=O)(=O)CC)c3)s2)n(-c2ccccc2Cl)n1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.66
NR1H3 Q13133 8/20 0.66
RXRA P19793 7/20 0.66
SLC16A3 O15427 9/20 0.35
SLC16A1 P53985 8/20 0.35
BRD4 O60885 1/20 0.33
FLT3 P36888 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL12979186 0.91 RXRA (0.79) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3473876 0.89 RXRA (0.82) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3471560 0.86 NR1H2 (0.65) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3473856 0.86 RXRA (0.67) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3471081 0.82 RXRA (0.75) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL14624778 0.81 RXRA (0.85) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3473544 0.80 RXRA (0.84) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3474131 0.80 RXRA (0.82) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3471678 0.79 RXRA (1.00) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3472328 0.79 NR1H2 (0.68) NR1H2NR1H3RXRAPTGS1PTGS2

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.