SCHEMBL3472973

SCHEMBL3472973

CCNC(=O)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(-c2ccccc2Cl)n1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.77
RXRA P19793 8/20 0.77
NR1H3 Q13133 8/20 0.77
CNR1 P21554 1/20 0.42
SLC16A3 O15427 2/20 0.39
SLC16A1 P53985 1/20 0.39
MCTS1 Q9ULC4 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
FLT3 P36888 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
SLC5A1 P13866 2/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1H O95180 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
SCHEMBL14624827 0.92 RXRA (0.75) NR1H2RXRANR1H3CNR1SLC16A3
SCHEMBL3470791 0.91 RXRA (0.73) NR1H2RXRANR1H3CNR1SLC16A3
SCHEMBL3474122 0.91 RXRA (0.73) NR1H2RXRANR1H3CNR1SLC16A3
SCHEMBL3472419 0.91 NR1H2 (0.73) NR1H2RXRANR1H3CNR1SLC16A3
SCHEMBL14623269 0.90 RXRA (0.80) NR1H2RXRANR1H3CNR1SLC16A3
SCHEMBL3471727 0.90 NR1H2 (0.72) NR1H2RXRANR1H3CNR1SLC16A3
SCHEMBL3474644 0.90 RXRA (0.69) NR1H2RXRANR1H3CNR1MALT1
SCHEMBL3470811 0.89 NR1H2 (0.73) NR1H2RXRANR1H3CNR1SLC16A3
SCHEMBL3474852 0.89 RXRA (0.71) NR1H2RXRANR1H3CNR1SLC16A3
SCHEMBL3474729 0.89 RXRA (0.71) NR1H2RXRANR1H3CNR1MALT1

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 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 NR1H2 1/4885RXRA 18/4885NR1H3 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.