SCHEMBL3474299

SCHEMBL3474299

CS(=O)(=O)c1cccc(-c2cccc(-n3nc(C(F)(F)F)cc3-c3ccccc3C(F)(F)F)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.60
NR1H3 Q13133 6/20 0.60
RXRA P19793 5/20 0.60
PTGS2 P35354 9/20 0.57
PTGS1 P23219 5/20 0.49
CYP2C9 P11712 1/20 0.48
KLKB1 P03952 1/20 0.47

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
SCHEMBL3474106 0.93 RXRA (0.56) NR1H2NR1H3RXRAPTGS2PTGS1
SCHEMBL3472443 0.93 PTGS2 (0.62) NR1H2NR1H3RXRAPTGS2PTGS1
SCHEMBL3471318 0.85 RXRA (0.55) NR1H2NR1H3RXRA
SCHEMBL3472904 0.84 NR1H2 (0.64) NR1H2NR1H3RXRAPTGS2
SCHEMBL12978932 0.84 PTGS2 (0.71) PTGS2PTGS1CYP2C9
SCHEMBL3472834 0.82 PDPK1 (0.66) PTGS2PTGS1CYP2C9
SCHEMBL27716921 0.82 PTGS2 (0.59) PTGS2PTGS1CYP2C9
SCHEMBL27716920 0.80 PTGS2 (0.58) PTGS2PTGS1CYP2C9
SCHEMBL3471904 0.79 NR1H2 (0.53) NR1H2NR1H3RXRAPTGS2
SCHEMBL3472895 0.78 NR1H2 (0.61) NR1H2NR1H3RXRAPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 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 (1 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885RXRA 18/4885

“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.