SCHEMBL3471228

SCHEMBL3471228

O=C(O)C1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.52
NR1H2 P55055 3/20 0.52
NR1H3 Q13133 3/20 0.52
MAPT P10636 1/20 0.48
NR3C2 P08235 1/20 0.48
MGLL Q99685 6/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
HSD11B1 P28845 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DHFR P00374 1/20 0.42
CNR1 P21554 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
P2RX7 Q99572 1/20 0.42

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
SCHEMBL3473588 0.91 RXRA (0.52) RXRANR1H2NR1H3NR3C2MGLL
SCHEMBL3473126 0.90 RXRA (0.53) RXRANR1H2NR1H3MAPTNR3C2
SCHEMBL3470736 0.89 RXRA (0.56) RXRANR1H2NR1H3MAPTNR3C2
SCHEMBL3472549 0.89 RXRA (0.56) RXRANR1H2NR1H3MAPTNR3C2
SCHEMBL3473811 0.89 RXRA (0.51) RXRANR1H2NR1H3MAPTNR3C2
SCHEMBL3473783 0.89 RXRA (0.52) RXRANR1H2NR1H3NR3C2
SCHEMBL3473198 0.88 RXRA (0.55) RXRANR1H2NR1H3NR3C2RAB9A
SCHEMBL3474689 0.88 RXRA (0.49) RXRANR1H2NR1H3NR3C2MEN1
SCHEMBL3471468 0.88 RXRA (0.51) RXRANR1H2NR1H3NR3C2CNR1
SCHEMBL3472556 0.88 RXRA (0.51) RXRANR1H2NR1H3NR3C2CNR1

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 6 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

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.