SCHEMBL3471683

SCHEMBL3471683

CN1CCN(c2ccccc2-n2nc(C(F)(F)F)cc2-c2cc(-c3cccc(S(C)(=O)=O)c3)cs2)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.57
NR1H2 P55055 7/20 0.57
NR1H3 Q13133 7/20 0.57
PTGS2 P35354 6/20 0.43
JAK2 O60674 2/20 0.38
JAK3 P52333 2/20 0.38
PTK2 Q05397 2/20 0.38
CYP2C9 P11712 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL3471275 0.92 RXRA (0.48) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3471413 0.91 RXRA (0.56) RXRANR1H2NR1H3PTGS2JAK2
SCHEMBL3473283 0.88 RXRA (0.53) RXRANR1H2NR1H3PTGS2JAK2
SCHEMBL3472727 0.85 RXRA (0.78) RXRANR1H2NR1H3PTGS2CYP2C9
SCHEMBL3471026 0.85 RXRA (0.62) RXRANR1H2NR1H3PTGS2CYP2C9
SCHEMBL3472087 0.85 NR1H2 (0.62) RXRANR1H2NR1H3PTGS2CYP2C9
SCHEMBL3473004 0.84 RXRA (0.50) RXRANR1H2NR1H3PTGS2
SCHEMBL3472813 0.83 NR1H2 (0.60) RXRANR1H2NR1H3PTGS2JAK2
SCHEMBL3472470 0.83 NR1H2 (0.60) RXRANR1H2NR1H3PTGS2CYP2C9
SCHEMBL3474359 0.82 RXRA (0.59) RXRANR1H2NR1H3PTGS2CYP2C9

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 12 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
CN-101248048-B Imidazole based LXR modulators EXELIXIS INC 2013-08-28 CN 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
CN-101248048-A Imidazole based LXR modulators EXELIXIS INC (US) 2008-08-20 CN 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.