SCHEMBL3473029

SCHEMBL3473029

COc1cccc(C2CCCN2Cc2cc(-c3ccc(-c4cccc(S(C)(=O)=O)c4)s3)n(-c3ccccc3Cl)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.55
NR1H2 P55055 6/20 0.55
NR1H3 Q13133 6/20 0.55
SLC16A3 O15427 9/20 0.42
THRB P10828 1/20 0.41
SLC16A1 P53985 8/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
MCTS1 Q9ULC4 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 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
SCHEMBL3471207 0.97 RXRA (0.54) RXRANR1H2NR1H3SLC16A3THRB
SCHEMBL3470688 0.94 RXRA (0.55) RXRANR1H2NR1H3SLC16A3THRB
SCHEMBL3473838 0.92 RXRA (0.54) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471047 0.92 NR1H2 (0.57) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3472802 0.90 NR1H2 (0.57) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3472594 0.90 NR1H2 (0.56) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3474201 0.89 NR1H2 (0.57) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL4629664 0.89 RXRA (0.44) RXRANR1H2NR1H3SLC16A3THRB
SCHEMBL3471204 0.89 NR1H2 (0.53) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471230 0.89 NR1H2 (0.56) 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 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.