SCHEMBL3473318

SCHEMBL3473318

CC1CCN(C(=O)c2cc(-c3ccc(-c4cccc(S(C)(=O)=O)c4)s3)n(-c3ccccc3Cl)n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.72
NR1H2 P55055 6/20 0.72
NR1H3 Q13133 6/20 0.72
SMN1; SMN2 Q16637 2/20 0.44
SMPD1 P17405 1/20 0.42
HSD11B1 P28845 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS2 P35354 3/20 0.40
PTGS1 P23219 2/20 0.40
EPHX2 P34913 1/20 0.40
MGLL Q99685 2/20 0.39
TRPC3 Q13507 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
SCHEMBL3474509 0.94 RXRA (0.70) RXRANR1H2NR1H3SMN1; SMN2SMPD1
SCHEMBL3471590 0.93 RXRA (0.69) RXRANR1H2NR1H3SMPD1PTGS2
SCHEMBL3471296 0.92 RXRA (0.74) RXRANR1H2NR1H3SMN1; SMN2SMPD1
SCHEMBL3474179 0.91 RXRA (0.67) RXRANR1H2NR1H3SMPD1PTGS2
SCHEMBL3471131 0.91 RXRA (0.73) RXRANR1H2NR1H3SMN1; SMN2SMPD1
SCHEMBL3472436 0.91 RXRA (0.73) RXRANR1H2NR1H3SMN1; SMN2SMPD1
SCHEMBL3473742 0.91 RXRA (0.66) RXRANR1H2NR1H3SMPD1L3MBTL1
SCHEMBL3471665 0.91 RXRA (0.73) RXRANR1H2NR1H3SMPD1ALDH1A1
SCHEMBL3471697 0.91 RXRA (0.68) RXRANR1H2NR1H3SMPD1PTGS2
SCHEMBL3471687 0.90 RXRA (0.72) RXRANR1H2NR1H3SMN1; SMN2SMPD1

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 claimed
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.