SCHEMBL3473492

SCHEMBL3473492

CC(C)(C(=O)O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)nn3Cc3ccc(F)cc3F)s2)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.70
NR1H2 P55055 5/20 0.70
NR1H3 Q13133 5/20 0.70
SLC16A3 O15427 3/20 0.40
SLC16A1 P53985 3/20 0.40
MCTS1 Q9ULC4 2/20 0.40
KCNK3 O14649 6/20 0.39
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
VNN1 O95497 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 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
SCHEMBL3474540 0.84 RXRA (0.69) RXRANR1H2NR1H3KCNK3TRPV1
SCHEMBL3471757 0.82 RXRA (1.00) RXRANR1H2NR1H3KCNK3
SCHEMBL3473250 0.82 RXRA (0.46) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL14624825 0.78 RXRA (0.45) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3472537 0.77 RXRA (0.83) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471298 0.75 RXRA (0.63) RXRANR1H2NR1H3KCNK3TRPV1
SCHEMBL3472176 0.74 RXRA (0.72) RXRANR1H2NR1H3NPC1RAB9A
SCHEMBL3471064 0.73 RXRA (0.68) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3472231 0.72 RXRA (0.56) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471213 0.72 RXRA (0.52) RXRANR1H2NR1H3TRPV1MEN1

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
CN-101248048-B Imidazole based LXR modulators EXELIXIS INC 2013-08-28 CN 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.