SCHEMBL3471852

SCHEMBL3471852

CCCc1ccccc1-n1nc(C(C)(C)O)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)s1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.74
NR1H3 Q13133 14/20 0.74
RXRA P19793 13/20 0.74
LOXL2 Q9Y4K0 1/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
MCTS1 Q9ULC4 1/20 0.37
KCNH2 Q12809 1/20 0.36
CNR1 P21554 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL3471672 0.94 RXRA (0.79) NR1H2NR1H3RXRALOXL2SLC16A3
SCHEMBL3471806 0.86 RXRA (0.80) NR1H2NR1H3RXRALOXL2KCNH2
SCHEMBL3475352 0.86 RXRA (0.80) NR1H2NR1H3RXRALOXL2KCNH2
SCHEMBL3471951 0.85 RXRA (0.79) NR1H2NR1H3RXRALOXL2KCNH2
SCHEMBL3471678 0.85 RXRA (1.00) NR1H2NR1H3RXRALOXL2SLC16A3
SCHEMBL3473607 0.83 NR1H2 (0.76) NR1H2NR1H3RXRALOXL2SLC16A3
SCHEMBL3472269 0.83 NR1H2 (0.85) NR1H2NR1H3RXRAPTGS2
SCHEMBL14622576 0.83 NR1H2 (0.62) NR1H2NR1H3RXRALOXL2SLC16A3
SCHEMBL3471041 0.83 RXRA (0.76) NR1H2NR1H3RXRALOXL2KCNH2
SCHEMBL3471122 0.83 RXRA (0.75) NR1H2NR1H3RXRAKCNH2PTGS2

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.