SCHEMBL3471856

SCHEMBL3471856

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(=O)NC4CC4)nn3-c3c(Cl)cccc3Cl)c(Cl)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.44
RXRA P19793 5/20 0.44
NR1H3 Q13133 5/20 0.44
PTGS1 P23219 1/20 0.43
EPHX2 P34913 1/20 0.43
PTGS2 P35354 1/20 0.43
CHRNB2 P17787 3/20 0.41
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
CHRNA4 P43681 3/20 0.41
KCNH2 Q12809 2/20 0.41
DRD4 P21917 1/20 0.41
SLC6A2 P23975 1/20 0.41
MALT1 Q9UDY8 1/20 0.39
HSD11B1 P28845 1/20 0.38
FAAH O00519 2/20 0.38
NTRK1 P04629 1/20 0.37
SSTR5 P35346 1/20 0.37
CNR1 P21554 1/20 0.36

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
SCHEMBL3473402 0.97 PTGS1 (0.45) NR1H2RXRANR1H3PTGS1EPHX2
SCHEMBL3471432 0.97 EPHX2 (0.47) NR1H2RXRANR1H3PTGS1EPHX2
SCHEMBL3472957 0.86 NR1H2 (0.47) NR1H2RXRANR1H3KCNH2HSD11B1
SCHEMBL3472174 0.83 NR1H2 (0.46) NR1H2RXRANR1H3PTGS2MALT1
SCHEMBL3472981 0.83 NR1H2 (0.44) NR1H2RXRANR1H3CNR1
SCHEMBL3472767 0.83 NR1H2 (0.45) NR1H2RXRANR1H3MALT1
SCHEMBL3472030 0.82 CHRNA7 (0.46) NR1H2RXRANR1H3PTGS1PTGS2
SCHEMBL2256963 0.78 NR1H2 (0.59) NR1H2RXRANR1H3KCNH2HSD11B1
SCHEMBL3475912 0.78 NR1H2 (0.58) NR1H2RXRANR1H3PTGS2
SCHEMBL3473999 0.75 CHRNA7 (0.44) NR1H2RXRANR1H3PTGS1PTGS2

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 7 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
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.