SCHEMBL3474525

SCHEMBL3474525

CC(C)NC(=O)c1cccc(-c2ccc(-c3cc(C(C)(C)O)nn3-c3ccccc3Cl)s2)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.66
NR1H3 Q13133 7/20 0.66
RXRA P19793 6/20 0.66
SLC16A3 O15427 6/20 0.45
SLC16A1 P53985 5/20 0.45
MCTS1 Q9ULC4 1/20 0.45
ACSS2 Q9NR19 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ERN1 O75460 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
DYRK3 O43781 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
DYRK1B Q9Y463 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
SCHEMBL3471994 0.88 RXRA (0.51) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3474269 0.88 RXRA (0.61) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3473470 0.88 NR1H2 (0.66) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3473810 0.87 RXRA (0.73) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3473398 0.87 RXRA (0.73) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3470780 0.86 RXRA (0.72) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3471496 0.84 RXRA (0.69) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3473734 0.83 RXRA (0.78) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3471626 0.83 RXRA (0.62) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3475621 0.82 RXRA (0.71) NR1H2NR1H3RXRASLC16A3SLC16A1

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 8 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
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 1/4885NR1H3 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.