SCHEMBL3585993

SCHEMBL3585993

CCNS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3ccccc3C(F)(F)F)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.59
RXRA P19793 12/20 0.59
NR1H3 Q13133 12/20 0.59
PTGS2 P35354 5/20 0.41
PTGS1 P23219 2/20 0.41
BRD4 O60885 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
AR P10275 1/20 0.41
NR1I2 O75469 1/20 0.41

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
SCHEMBL3579960 0.92 NR1H2 (0.56) NR1H2RXRANR1H3PTGS2PTGS1
SCHEMBL3583893 0.91 NR1H2 (0.62) NR1H2RXRANR1H3PTGS2PTGS1
SCHEMBL3583845 0.90 NR1H2 (0.61) NR1H2RXRANR1H3PTGS2PTGS1
SCHEMBL3581568 0.90 NR1H2 (0.63) NR1H2RXRANR1H3PTGS2PTGS1
SCHEMBL3576062 0.88 NR1H2 (0.76) NR1H2RXRANR1H3PTGS2PTGS1
SCHEMBL14621199 0.87 RXRA (0.64) NR1H2RXRANR1H3PTGS2PTGS1
SCHEMBL3588201 0.85 NR1H2 (0.62) NR1H2RXRANR1H3PTGS2PTGS1
SCHEMBL3577694 0.83 NR1H2 (0.54) NR1H2RXRANR1H3PTGS2PTGS1
SCHEMBL3584478 0.83 RXRA (0.51) NR1H2RXRANR1H3
SCHEMBL3581145 0.83 RXRA (0.53) NR1H2RXRANR1H3PTGS2PTGS1

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
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

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 NR1H2 1/4885RXRA 17/4885NR1H3 2/4885
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1I2 NR1H2 1/4885RXRA 17/4885NR1H3 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.