SCHEMBL3473543

SCHEMBL3473543

CN1CCN(CCn2nc(C(F)(F)F)cc2-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.62
RXRA P19793 8/20 0.62
NR1H3 Q13133 8/20 0.62
JAK2 O60674 2/20 0.41
JAK3 P52333 2/20 0.41
PTK2 Q05397 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PTGS2 P35354 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
PIK3CA P42336 1/20 0.38
DRD2 P14416 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
SCHEMBL3474945 0.92 RXRA (0.61) NR1H2RXRANR1H3JAK2JAK3
SCHEMBL3471661 0.87 NR1H2 (0.54) NR1H2RXRANR1H3JAK2JAK3
SCHEMBL16328649 0.86 NR1H2 (0.68) NR1H2RXRANR1H3NPC1RAB9A
SCHEMBL3475340 0.86 RXRA (0.57) NR1H2RXRANR1H3NPC1RAB9A
SCHEMBL3472975 0.85 RXRA (0.67) NR1H2RXRANR1H3NPC1RAB9A
SCHEMBL3471113 0.81 RXRA (0.60) NR1H2RXRANR1H3NPC1RAB9A
SCHEMBL3474799 0.81 JAK2 (0.49) NR1H2RXRANR1H3JAK2JAK3
SCHEMBL3472125 0.81 NR1H2 (0.62) NR1H2RXRANR1H3NPC1RAB9A
SCHEMBL12979545 0.81 NR1H2 (0.66) NR1H2RXRANR1H3NPC1RAB9A
SCHEMBL3472596 0.81 RXRA (0.66) NR1H2RXRANR1H3NPC1RAB9A

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 5 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-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.