SCHEMBL3471503

SCHEMBL3471503

CC(C)(O)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(-c2ccncc2)n1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.69
NR1H2 P55055 10/20 0.69
NR1H3 Q13133 10/20 0.69
PTGS2 P35354 2/20 0.43
FLT3 P36888 2/20 0.41
KCNH2 Q12809 1/20 0.40
CNR1 P21554 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39

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
SCHEMBL3471122 0.92 RXRA (0.75) RXRANR1H2NR1H3PTGS2KCNH2
SCHEMBL3471304 0.89 RXRA (0.66) RXRANR1H2NR1H3PTGS2FLT3
SCHEMBL3471065 0.89 RXRA (0.68) RXRANR1H2NR1H3PTGS2FLT3
SCHEMBL3473085 0.89 RXRA (0.74) RXRANR1H2NR1H3PTGS2FLT3
SCHEMBL3472799 0.88 RXRA (0.75) RXRANR1H2NR1H3PTGS2FLT3
SCHEMBL3471709 0.87 RXRA (0.68) RXRANR1H2NR1H3PTGS2FLT3
SCHEMBL3475328 0.87 RXRA (0.68) RXRANR1H2NR1H3PTGS2FLT3
SCHEMBL3474120 0.87 RXRA (0.74) RXRANR1H2NR1H3PTGS2FLT3
SCHEMBL3472024 0.86 RXRA (0.70) RXRANR1H2NR1H3FLT3KCNH2
SCHEMBL3472894 0.86 RXRA (0.67) RXRANR1H2NR1H3PTGS2KCNH2

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 11 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
CN-101248048-A Imidazole based LXR modulators EXELIXIS INC (US) 2008-08-20 CN 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

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.