SCHEMBL3470906

SCHEMBL3470906

CS(=O)(=O)c1cccc(-c2csc(-c3cc(C(F)(F)F)nn3-c3ccccc3OCCN3CCCCC3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.51
NR1H3 Q13133 8/20 0.51
RXRA P19793 7/20 0.51
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
PTGS2 P35354 1/20 0.38
GALR3 O60755 1/20 0.37
SYK P43405 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
MCHR1 Q99705 1/20 0.35
BACE1 P56817 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3471306 0.93 RXRA (0.49) NR1H2NR1H3RXRAPTGS2HTR2A
SCHEMBL3473004 0.90 RXRA (0.50) NR1H2NR1H3RXRAPTGS2
SCHEMBL3470968 0.89 RXRA (0.49) NR1H2NR1H3RXRAPTGS2KDM4E
SCHEMBL3472970 0.88 NR1H2 (0.56) NR1H2NR1H3RXRAPTGS2SYK
SCHEMBL3472146 0.88 NR1H2 (0.56) NR1H2NR1H3RXRAPTGS2SYK
SCHEMBL3471933 0.87 NR1H2 (0.57) NR1H2NR1H3RXRAPTGS2SYK
SCHEMBL3471781 0.87 NR1H2 (0.51) NR1H2NR1H3RXRAPTGS2
SCHEMBL3474390 0.85 NR1H2 (0.56) NR1H2NR1H3RXRAPTGS2SYK
SCHEMBL3473220 0.85 NR1H2 (0.52) NR1H2NR1H3RXRAPTGS2GALR3
SCHEMBL3473347 0.84 NR1H2 (0.55) 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 3 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

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.