SCHEMBL3573133

SCHEMBL3573133

CCS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3cccc4ccccc34)c(Cl)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 15/20 0.56
NR1H3 Q13133 15/20 0.56
RXRA P19793 14/20 0.56
BRD4 O60885 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
NR1I2 O75469 2/20 0.39
HSD11B1 P28845 1/20 0.39
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL3576376 0.92 RXRA (0.67) NR1H2NR1H3RXRABRD4NR1I2
SCHEMBL3576408 0.91 NR1H2 (0.68) NR1H2NR1H3RXRACA12CA1
SCHEMBL3586723 0.89 NR1H2 (0.58) NR1H2NR1H3RXRANR1I2HSD11B1
SCHEMBL3575972 0.89 NR1H2 (0.58) NR1H2NR1H3RXRANR1I2HSD11B1
SCHEMBL3573014 0.88 NR1H2 (0.47) NR1H2NR1H3RXRABRD4NR1I2
SCHEMBL3580734 0.88 NR1H2 (0.55) NR1H2NR1H3RXRANR1I2HSD11B1
SCHEMBL3575599 0.87 NR1H2 (0.54) NR1H2NR1H3RXRANR1I2HSD11B1
SCHEMBL3579050 0.86 NR1H2 (0.66) NR1H2NR1H3RXRANR1I2HSD11B1
SCHEMBL3586019 0.84 RXRA (0.57) NR1H2NR1H3RXRANR1I2
SCHEMBL3590714 0.84 RXRA (0.64) NR1H2NR1H3RXRANR1I2HSD11B1

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 16 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
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
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
WO-2007002563-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 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 (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 1/4885NR1H3 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.