SCHEMBL3471709

SCHEMBL3471709

CC(C)(O)c1cccc(-n2nc(C(C)(C)O)cc2-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.68
NR1H2 P55055 11/20 0.68
NR1H3 Q13133 11/20 0.68
PTGS2 P35354 1/20 0.40
KCNH2 Q12809 1/20 0.39
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
CNR1 P21554 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL3471191 0.93 RXRA (0.65) RXRANR1H2NR1H3PTGS2
SCHEMBL3471122 0.91 RXRA (0.75) RXRANR1H2NR1H3PTGS2KCNH2
SCHEMBL3474120 0.90 RXRA (0.74) RXRANR1H2NR1H3PTGS2KCNH2
SCHEMBL3472894 0.89 RXRA (0.67) RXRANR1H2NR1H3PTGS2KCNH2
SCHEMBL14622666 0.88 NR1H2 (0.54) RXRANR1H2NR1H3PTGS2KCNH2
SCHEMBL3471503 0.87 RXRA (0.69) RXRANR1H2NR1H3PTGS2KCNH2
SCHEMBL3472799 0.87 RXRA (0.75) RXRANR1H2NR1H3PTGS2KCNH2
SCHEMBL3471304 0.86 RXRA (0.66) RXRANR1H2NR1H3PTGS2KCNH2
SCHEMBL3473196 0.86 RXRA (0.75) RXRANR1H2NR1H3PTGS2CNR1
SCHEMBL3471913 0.86 RXRA (0.66) RXRANR1H2NR1H3PTGS2CNR1

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 9 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

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.