SCHEMBL3472773

SCHEMBL3472773

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(CN4CCN(c5cccc(C(F)(F)F)c5)CC4)nn3-c3ccccc3Cl)s2)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.63
NR1H3 Q13133 10/20 0.63
RXRA P19793 7/20 0.63
DRD2 P14416 2/20 0.43
HTR7 P34969 1/20 0.41
SMO Q99835 1/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
EPHX2 P34913 1/20 0.39
PTGS2 P35354 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
SCHEMBL3473384 0.92 RXRA (0.64) NR1H2NR1H3RXRADRD2MEN1
SCHEMBL3471085 0.90 RXRA (0.61) NR1H2NR1H3RXRADRD2PTGS2
SCHEMBL3472375 0.88 NR1H2 (0.60) NR1H2NR1H3RXRAKMT2A
SCHEMBL3473681 0.86 RXRA (0.67) NR1H2NR1H3RXRADRD2
SCHEMBL3472413 0.86 NR1H2 (0.67) NR1H2NR1H3RXRADRD2ALDH1A1
SCHEMBL3470870 0.86 RXRA (0.67) NR1H2NR1H3RXRADRD2
SCHEMBL3472913 0.86 NR1H3 (0.69) NR1H2NR1H3RXRADRD2
SCHEMBL3471060 0.86 RXRA (0.62) NR1H2NR1H3RXRADRD2ALDH1A1
SCHEMBL3473653 0.85 NR1H3 (0.68) NR1H2NR1H3RXRADRD2
SCHEMBL3474691 0.85 NR1H3 (0.68) NR1H2NR1H3RXRADRD2

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.