SCHEMBL3471432

SCHEMBL3471432

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(=O)NC4CCCC4)nn3-c3c(Cl)cccc3Cl)c(Cl)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA4 P43681 2/20 0.43
DRD4 P21917 1/20 0.43
SLC6A2 P23975 1/20 0.43
KCNH2 Q12809 1/20 0.43
RXRA P19793 2/20 0.42
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
FAAH O00519 4/20 0.42
MALT1 Q9UDY8 1/20 0.42
CNR1 P21554 4/20 0.41
CNR2 P34972 1/20 0.40
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 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
SCHEMBL3473402 0.98 PTGS1 (0.45) EPHX2PTGS1PTGS2CHRNB2CHRNB4
SCHEMBL3471856 0.97 NR1H2 (0.44) EPHX2PTGS1PTGS2CHRNB2CHRNB4
SCHEMBL3472957 0.84 NR1H2 (0.47) KCNH2RXRANR1H2NR1H3HSD11B1
SCHEMBL3472030 0.82 CHRNA7 (0.46) PTGS1PTGS2RXRANR1H2NR1H3
SCHEMBL3472174 0.82 NR1H2 (0.46) PTGS2RXRANR1H2NR1H3MALT1
SCHEMBL3472767 0.81 NR1H2 (0.45) RXRANR1H2NR1H3MALT1
SCHEMBL3472981 0.81 NR1H2 (0.44) RXRANR1H2NR1H3CNR1CNR2
SCHEMBL2256963 0.76 NR1H2 (0.59) KCNH2RXRANR1H2NR1H3HSD11B1
SCHEMBL3475912 0.76 NR1H2 (0.58) PTGS2RXRANR1H2NR1H3
SCHEMBL3473999 0.76 CHRNA7 (0.44) PTGS1PTGS2RXRANR1H2NR1H3

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 EPHX2 961/4885PTGS1 803/4885PTGS2 1500/4885

“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.