SCHEMBL3473366

SCHEMBL3473366

CC(C)OCCCNC(=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 6/20 0.69
NR1H2 P55055 6/20 0.69
NR1H3 Q13133 6/20 0.69
POLB P06746 2/20 0.39
MALT1 Q9UDY8 1/20 0.37
PTGS2 P35354 3/20 0.37
PTGS1 P23219 2/20 0.37
EPHX2 P34913 2/20 0.37
TP53 P04637 1/20 0.37
CNR1 P21554 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
MCTS1 Q9ULC4 1/20 0.36
PAX8 Q06710 1/20 0.36
TSHR P16473 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
SCHEMBL3471550 0.93 RXRA (0.75) RXRANR1H2NR1H3MALT1PTGS2
SCHEMBL3474122 0.90 RXRA (0.73) RXRANR1H2NR1H3MALT1PTGS2
SCHEMBL3474729 0.89 RXRA (0.71) RXRANR1H2NR1H3MALT1PTGS2
SCHEMBL14624827 0.88 RXRA (0.75) RXRANR1H2NR1H3MALT1PTGS2
SCHEMBL3473456 0.88 RXRA (0.70) RXRANR1H2NR1H3MALT1PTGS2
SCHEMBL3474717 0.88 RXRA (0.70) RXRANR1H2NR1H3MALT1PTGS2
SCHEMBL15690832 0.87 RXRA (0.71) RXRANR1H2NR1H3MALT1PTGS2
SCHEMBL3471646 0.87 NR1H2 (0.69) RXRANR1H2NR1H3MALT1PTGS2
SCHEMBL3471727 0.86 NR1H2 (0.72) RXRANR1H2NR1H3MALT1CNR1
SCHEMBL3472973 0.86 NR1H2 (0.77) RXRANR1H2NR1H3MALT1CNR1

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.