SCHEMBL3579449

SCHEMBL3579449

CC(C)(O)c1cn(-c2ccc(-c3ccc(F)cc3O)cc2)c(-c2ccccc2C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.46
NR1H2 P55055 6/20 0.46
NR1H3 Q13133 6/20 0.46
HSD11B1 P28845 2/20 0.44
PTGS2 P35354 11/20 0.42
PTGS1 P23219 5/20 0.42
NR3C1 P04150 1/20 0.40
PGR P06401 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
SCHEMBL3577762 0.92 RXRA (0.46) RXRANR1H2NR1H3HSD11B1PTGS2
SCHEMBL3587406 0.90 PTGS2 (0.47) RXRANR1H2NR1H3HSD11B1PTGS2
SCHEMBL3583822 0.90 RXRA (0.46) RXRANR1H2NR1H3HSD11B1PTGS2
SCHEMBL3579162 0.88 RXRA (0.51) RXRANR1H2NR1H3HSD11B1PTGS2
SCHEMBL3583896 0.87 RXRA (0.56) RXRANR1H2NR1H3HSD11B1PTGS2
SCHEMBL3584288 0.87 RXRA (0.51) RXRANR1H2NR1H3HSD11B1PTGS2
SCHEMBL3583267 0.87 PTGS2 (0.51) RXRANR1H2NR1H3HSD11B1PTGS2
SCHEMBL3579541 0.86 RXRA (0.48) RXRANR1H2NR1H3HSD11B1PTGS2
SCHEMBL14621213 0.86 RXRA (0.52) RXRANR1H2NR1H3HSD11B1PTGS2
SCHEMBL3583300 0.85 RXRA (0.46) RXRANR1H2NR1H3HSD11B1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910308-B1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-09-03 EP claimed
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.