SCHEMBL2257553

SCHEMBL2257553

CS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(=O)NCCO)nc3-c3c(Cl)cccc3Cl)c(Cl)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.51
NR1H3 Q13133 8/20 0.51
RXRA P19793 7/20 0.51
NTSR1 P30989 1/20 0.40
GABRA2 P47869 6/20 0.40
GABRB2 P47870 6/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CG P48736 1/20 0.40
CNR2 P34972 1/20 0.39

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
SCHEMBL3583853 0.93 NR1H2 (0.50) NR1H2NR1H3RXRANTSR1GABRA2
SCHEMBL3572106 0.92 RXRA (0.43) NR1H2NR1H3RXRANTSR1GABRA2
SCHEMBL3584362 0.90 NR1H2 (0.51) NR1H2NR1H3RXRANTSR1GABRA2
SCHEMBL3572099 0.90 NR1H2 (0.64) NR1H2NR1H3RXRAPIK3CDPIK3CG
SCHEMBL3586193 0.90 NR1H2 (0.56) NR1H2NR1H3RXRANTSR1GABRA2
SCHEMBL3569081 0.89 NR1H2 (0.51) NR1H2NR1H3RXRANTSR1GABRA2
SCHEMBL2261827 0.88 NR1H2 (0.53) NR1H2NR1H3RXRANTSR1GABRA2
SCHEMBL2256135 0.87 NR1H2 (0.54) NR1H2NR1H3RXRANTSR1GABRA2
SCHEMBL14621385 0.87 NR1H2 (0.51) NR1H2NR1H3RXRANTSR1GABRA2
SCHEMBL28807063 0.87 RXRA (0.48) NR1H2NR1H3RXRANTSR1GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 US claimed
EP-1910308-B1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-09-03 EP claimed
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-02-06 US 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
EP-1910308-B1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-09-03 EP disclosed
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 EP 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-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 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-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 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 (3 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-20100069367-A1 LXR and FXR Modulators NR1H3, NR1H2, NR1H4 NR1H2 2/4885NR1H3 1/4885RXRA 8/4885
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885RXRA 17/4885
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1I2 NR1H2 1/4885NR1H3 2/4885RXRA 17/4885

“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.