SCHEMBL3471678

SCHEMBL3471678

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 1.00
NR1H2 P55055 12/20 1.00
NR1H3 Q13133 12/20 1.00
CNR1 P21554 1/20 0.42
SLC16A3 O15427 2/20 0.41
SLC16A1 P53985 1/20 0.41
MCTS1 Q9ULC4 1/20 0.41
FLT3 P36888 1/20 0.40
KCNH2 Q12809 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
PTGS2 P35354 1/20 0.37

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
SCHEMBL3474280 0.93 RXRA (0.87) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL3473400 0.93 RXRA (0.87) RXRANR1H2NR1H3FLT3PTGS2
SCHEMBL3472144 0.92 NR1H2 (0.86) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL14624778 0.92 RXRA (0.85) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL3471388 0.92 RXRA (0.84) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL3474321 0.91 RXRA (0.84) RXRANR1H2NR1H3SLC16A3PTGS2
SCHEMBL3473544 0.91 RXRA (0.84) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL3472290 0.91 RXRA (0.83) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL3472796 0.90 RXRA (0.82) RXRANR1H2NR1H3CNR1FLT3
SCHEMBL3473876 0.90 RXRA (0.82) 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 10 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
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO 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.