SCHEMBL3471971

SCHEMBL3471971

CC(C)(C)C(=O)NS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3cc(Cl)ccc3Cl)s2)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.61
NR1H2 P55055 7/20 0.61
NR1H3 Q13133 7/20 0.61
PTGS2 P35354 5/20 0.39
PTGS1 P23219 1/20 0.39
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
TRPV1 Q8NER1 4/20 0.37
CNR1 P21554 1/20 0.36
PPARG P37231 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
SCHEMBL12979963 0.92 RXRA (0.63) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3471514 0.85 RXRA (0.68) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3472618 0.85 RXRA (0.82) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3472328 0.84 NR1H2 (0.68) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3473537 0.83 RXRA (0.67) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3471515 0.83 RXRA (0.75) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3471449 0.83 NR1H2 (0.67) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3471401 0.81 RXRA (0.65) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3474519 0.81 RXRA (0.64) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3472231 0.80 RXRA (0.56) RXRANR1H2NR1H3PTGS2PTGS1

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 4 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 claimed
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
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 RXRA 18/4885NR1H2 1/4885NR1H3 2/4885

“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.