SCHEMBL3472491

SCHEMBL3472491

CN(C)CCNS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(C)(C)O)nn3-c3ccccc3Cl)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.56
NR1H2 P55055 10/20 0.56
NR1H3 Q13133 10/20 0.56
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
PTGS2 P35354 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CDK2 P24941 1/20 0.37
SRC P12931 1/20 0.37
SLC16A3 O15427 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
SCHEMBL3473412 0.89 RXRA (0.71) RXRANR1H2NR1H3PDK1PDK2
SCHEMBL3472403 0.83 RXRA (0.47) RXRANR1H2NR1H3
SCHEMBL3471447 0.83 NR1H2 (0.79) RXRANR1H2NR1H3PTGS2SLC16A3
SCHEMBL3475329 0.82 RXRA (0.66) RXRANR1H2NR1H3PTGS2
SCHEMBL3473385 0.78 RXRA (0.61) RXRANR1H2NR1H3PTGS2SLC16A3
SCHEMBL3472848 0.77 RXRA (0.56) RXRANR1H2NR1H3PTGS2SLC16A3
SCHEMBL3472324 0.77 RXRA (0.57) RXRANR1H2NR1H3SLC16A3
SCHEMBL3471076 0.77 RXRA (0.57) RXRANR1H2NR1H3SLC16A3
SCHEMBL3470712 0.77 RXRA (0.67) RXRANR1H2NR1H3PTGS2
SCHEMBL3471188 0.76 RXRA (0.56) RXRANR1H2NR1H3SLC16A3

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 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.