SCHEMBL3472166

SCHEMBL3472166

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2CN2CCOCC2)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.66
NR1H2 P55055 8/20 0.66
NR1H3 Q13133 8/20 0.66
NR3C2 P08235 2/20 0.44
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 1/20 0.43
PTGS2 P35354 2/20 0.41
PDPK1 O15530 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
SCHEMBL3470665 0.84 RXRA (0.65) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL4599490 0.84 RXRA (0.72) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3475529 0.82 RXRA (0.96) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3471693 0.81 RXRA (1.00) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3474679 0.80 RXRA (1.00) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3472591 0.79 RXRA (0.75) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3472989 0.79 RXRA (0.75) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3470716 0.79 RXRA (0.75) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3470967 0.77 RXRA (0.71) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3473459 0.75 RXRA (0.66) RXRANR1H2NR1H3JAK2JAK3

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 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
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.