SCHEMBL3579428

SCHEMBL3579428

CC(C)(O)c1cn(-c2ccc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2)c(-c2ccccc2C(F)(F)F)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.59
NR1H2 P55055 9/20 0.59
NR1H3 Q13133 9/20 0.59
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
USP2 O75604 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
BRD4 O60885 1/20 0.43
IDH2 P48735 1/20 0.42
LMNA P02545 2/20 0.41
HIF1A Q16665 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
PTGS2 P35354 1/20 0.41
EPHX2 P34913 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3576062 0.85 NR1H2 (0.76) RXRANR1H2NR1H3PTGS2
SCHEMBL14621199 0.85 RXRA (0.64) RXRANR1H2NR1H3PTGS2
SCHEMBL3581568 0.84 NR1H2 (0.63) RXRANR1H2NR1H3PTGS2
SCHEMBL3588201 0.83 NR1H2 (0.62) RXRANR1H2NR1H3PTGS2
SCHEMBL3583893 0.83 NR1H2 (0.62) RXRANR1H2NR1H3PTGS2
SCHEMBL3583845 0.82 NR1H2 (0.61) RXRANR1H2NR1H3PTGS2
SCHEMBL3583158 0.81 RXRA (0.47) RXRANR1H2NR1H3ALDH1A1MAPT
SCHEMBL3585993 0.81 NR1H2 (0.59) RXRANR1H2NR1H3BRD4PTGS2
SCHEMBL3573081 0.81 RXRA (0.57) RXRANR1H2NR1H3PTGS2
SCHEMBL3583849 0.80 RXRA (0.56) RXRANR1H2NR1H3PTGS2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US claimed
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 US disclosed
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 US disclosed
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 US disclosed
EP-1910308-B1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-09-03 EP disclosed
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-02-06 US disclosed
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-02-06 US disclosed
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-02-06 US disclosed
US-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US disclosed
US-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US disclosed
US-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 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 (2 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-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1H4 RXRA 17/4885NR1H2 1/4885NR1H3 2/4885
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1I2 RXRA 17/4885NR1H2 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.