SCHEMBL3471897

SCHEMBL3471897

Cn1c(-c2cccc(S(C)(=O)=O)c2)ccc1-c1cc(C(C)(C)O)nn1-c1c(Cl)cccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.59
NR1H2 P55055 13/20 0.59
NR1H3 Q13133 13/20 0.59
SLC16A3 O15427 1/20 0.42
SLC16A1 P53985 1/20 0.42
MCTS1 Q9ULC4 1/20 0.42
KCNH2 Q12809 2/20 0.40
MAPK14 Q16539 1/20 0.37
PTGS2 P35354 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
SCHEMBL3473711 0.90 RXRA (0.73) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL2255918 0.86 NR1H2 (0.63) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL2258949 0.84 RXRA (0.82) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL2256963 0.84 NR1H2 (0.59) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL2258761 0.83 NR1H2 (0.56) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3473361 0.82 NR1H2 (0.62) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL2256629 0.82 NR1H2 (0.57) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL2257760 0.79 NR1H2 (0.76) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL2258131 0.78 NR1H2 (0.75) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL2258304 0.77 RXRA (0.75) RXRANR1H2NR1H3SLC16A3SLC16A1

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 8 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
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 RXRA 18/4885NR1H2 1/4885NR1H3 2/4885

“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.