SCHEMBL3472169

SCHEMBL3472169

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

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.71
RXRA P19793 5/20 0.71
NR1H3 Q13133 5/20 0.71
PTGS2 P35354 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CNR1 P21554 1/20 0.41
CA9 Q16790 1/20 0.39
KCNH2 Q12809 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
FLT3 P36888 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS1 P23219 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
SCHEMBL3473807 0.88 NR1H2 (0.70) NR1H2RXRANR1H3PTGS2SMN1; SMN2
SCHEMBL3471294 0.85 NR1H2 (0.83) NR1H2RXRANR1H3PTGS2SMN1; SMN2
SCHEMBL3470760 0.83 NR1H2 (1.00) NR1H2RXRANR1H3SMN1; SMN2CNR1
SCHEMBL28771407 0.83 RXRA (0.52) NR1H2RXRANR1H3PTGS2CNR1
SCHEMBL3471503 0.82 RXRA (0.69) NR1H2RXRANR1H3PTGS2CNR1
SCHEMBL3471651 0.82 NR1H2 (0.78) NR1H2RXRANR1H3PTGS2SMN1; SMN2
SCHEMBL3471848 0.81 RXRA (0.61) NR1H2RXRANR1H3PTGS2CNR1
SCHEMBL3473097 0.78 RXRA (0.42) NR1H2RXRANR1H3PTGS2SMN1; SMN2
SCHEMBL3472750 0.77 RXRA (0.61) NR1H2RXRANR1H3PTGS2SMN1; SMN2
SCHEMBL3471545 0.76 RXRA (0.74) NR1H2RXRANR1H3PTGS2CNR1

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 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 NR1H2 1/4885RXRA 18/4885NR1H3 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.