SCHEMBL3577232

SCHEMBL3577232

NS(=O)(=O)c1cccc(-c2ccc(-c3nc(C(F)(F)F)cn3-c3ccccc3Cl)s2)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.53
PTGS1 P23219 11/20 0.53
RXRA P19793 5/20 0.53
NR1H2 P55055 5/20 0.53
NR1H3 Q13133 5/20 0.53

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
SCHEMBL3583589 0.92 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL3586753 0.90 NR1H2 (0.66) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL14621333 0.83 RXRA (0.45) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL3572813 0.82 NR1H2 (0.57) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL14621462 0.80 PTGS2 (0.44) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL5594719 0.80 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL3471832 0.79 RXRA (0.82) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL3576651 0.79 RXRA (0.47) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL3582716 0.77 RXRA (0.42) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL3577069 0.77 PTGS2 (0.41) PTGS2PTGS1RXRANR1H2NR1H3

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 5 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 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-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

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 673/4885RXRA 17/4885
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1I2 PTGS2 400/4885PTGS1 487/4885RXRA 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.