SCHEMBL3472571

SCHEMBL3472571

FC(F)(F)c1cc(-c2ccc(Br)cc2Cl)n(-c2c(Cl)cccc2Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.47
PTGS1 P23219 7/20 0.47
PDPK1 O15530 2/20 0.40
RXRA P19793 3/20 0.39
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 3/20 0.39
NT5E P21589 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
SCHEMBL3471548 0.76 RXRA (0.44) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL3471347 0.76 RXRA (0.38) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL3471900 0.73 PDK2 (0.45) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL14996612 0.72 MAPT (0.48) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL2261447 0.72 PTGS1 (0.41) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL2255714 0.71 TRPV1 (0.43) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL2261474 0.71 MAPK14 (0.43) PTGS2PTGS1NT5E
SCHEMBL2258050 0.70 MAPK14 (0.46) NT5E
SCHEMBL12859463 0.70 RXRA (0.41) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL12871805 0.69 TRPV1 (0.43) 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 8 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
CN-101248048-B Imidazole based LXR modulators EXELIXIS INC 2013-08-28 CN 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
WO-2007002559-A1 PYRAZOLE 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 (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 PTGS2 1500/4885PTGS1 803/4885PDPK1 1810/4885

“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.