SCHEMBL3587973

SCHEMBL3587973

CCS(=O)(=O)c1ncc(-c2ccc(-c3nc(C(F)(F)F)cn3-c3cc(Cl)ccc3Cl)s2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.42
PTGS1 P23219 9/20 0.42
GRIN2B Q13224 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
SCHEMBL3582716 0.91 RXRA (0.42) PTGS2PTGS1GRIN2B
SCHEMBL3577254 0.91 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL14621332 0.91 PTGS2 (0.39) PTGS2PTGS1GRIN2B
SCHEMBL3576651 0.82 RXRA (0.47) PTGS2PTGS1
SCHEMBL3578845 0.82 PTGS2 (0.38) PTGS2PTGS1GRIN2B
SCHEMBL15459621 0.80 PTGS2 (0.39) PTGS2PTGS1GRIN2B
SCHEMBL3572813 0.78 NR1H2 (0.57) PTGS2PTGS1
SCHEMBL14621462 0.77 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL3474069 0.76 RXRA (0.64) PTGS2PTGS1
SCHEMBL15997601 0.76 RXRA (0.39) PTGS2PTGS1GRIN2B

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 17 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
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 PTGS2 285/4885PTGS1 673/4885GRIN2B 232/4885
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1I2 PTGS2 400/4885PTGS1 487/4885GRIN2B 398/4885

“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.