SCHEMBL3474046

SCHEMBL3474046

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.69
NR1H2 P55055 8/20 0.69
NR1H3 Q13133 8/20 0.69
SLC16A3 O15427 3/20 0.38
SLC16A1 P53985 2/20 0.38
MCTS1 Q9ULC4 1/20 0.38
CNR1 P21554 1/20 0.37
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
SLC6A4 P31645 3/20 0.35
FLT3 P36888 1/20 0.34
KMT2A Q03164 1/20 0.34
MALT1 Q9UDY8 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
KCNH2 Q12809 1/20 0.33
RET P07949 1/20 0.33
CDK8 P49336 1/20 0.33
MAPK14 Q16539 1/20 0.33
LRRK2 Q5S007 1/20 0.33
MAP4K5 Q9Y4K4 1/20 0.33

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
SCHEMBL3473243 0.95 NR1H2 (0.71) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3472716 0.90 NR1H2 (0.68) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL15641716 0.90 NR1H2 (0.70) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3474304 0.89 NR1H2 (0.71) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3473692 0.88 RXRA (0.77) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3474717 0.88 RXRA (0.70) RXRANR1H2NR1H3CNR1MALT1
SCHEMBL3473339 0.88 NR1H2 (0.70) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL15641668 0.87 RXRA (0.64) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471922 0.87 RXRA (0.64) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471972 0.87 NR1H2 (0.66) 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 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 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.