SCHEMBL3472375

SCHEMBL3472375

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(CN4CCN(c5ccc(C(F)(F)F)cn5)CC4)nn3-c3ccccc3Cl)s2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.60
NR1H3 Q13133 11/20 0.60
RXRA P19793 7/20 0.60
GAA P10253 1/20 0.39
DRD4 P21917 1/20 0.38
GRM2 Q14416 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A9 P48067 1/20 0.37
KCNH2 Q12809 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3472773 0.88 NR1H2 (0.63) NR1H2NR1H3RXRAKMT2A
SCHEMBL3471060 0.85 RXRA (0.62) NR1H2NR1H3RXRA
SCHEMBL3473384 0.85 RXRA (0.64) NR1H2NR1H3RXRADRD4SMN1; SMN2
SCHEMBL3473681 0.84 RXRA (0.67) NR1H2NR1H3RXRA
SCHEMBL3470870 0.84 RXRA (0.67) NR1H2NR1H3RXRA
SCHEMBL3472413 0.84 NR1H2 (0.67) NR1H2NR1H3RXRA
SCHEMBL3472913 0.84 NR1H3 (0.69) NR1H2NR1H3RXRA
SCHEMBL3473653 0.84 NR1H3 (0.68) NR1H2NR1H3RXRA
SCHEMBL3474691 0.84 NR1H3 (0.68) NR1H2NR1H3RXRA
SCHEMBL3471085 0.83 RXRA (0.61) NR1H2NR1H3RXRADRD4

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 7 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
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 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.