SCHEMBL3474080

SCHEMBL3474080

CCOC(=O)C1CCN(C(=O)c2cc(-c3ccc(-c4cccc(S(C)(=O)=O)c4)s3)n(-c3ccccc3Cl)n2)CC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.65
NR1H2 P55055 6/20 0.65
NR1H3 Q13133 6/20 0.65
PTGS1 P23219 2/20 0.55
EPHX2 P34913 2/20 0.55
PTGS2 P35354 2/20 0.55
ALDH1A1 P00352 3/20 0.43
TSHR P16473 3/20 0.43
USP2 O75604 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3471665 0.92 RXRA (0.73) RXRANR1H2NR1H3PTGS1EPHX2
SCHEMBL3471590 0.90 RXRA (0.69) RXRANR1H2NR1H3PTGS1EPHX2
SCHEMBL3474509 0.89 RXRA (0.70) RXRANR1H2NR1H3PTGS1EPHX2
SCHEMBL3473318 0.89 RXRA (0.72) RXRANR1H2NR1H3PTGS1EPHX2
SCHEMBL3474653 0.87 NR1H2 (0.62) RXRANR1H2NR1H3PTGS1EPHX2
SCHEMBL3471390 0.87 RXRA (0.62) RXRANR1H2NR1H3ALDH1A1TSHR
SCHEMBL3471296 0.87 RXRA (0.74) RXRANR1H2NR1H3PTGS1PTGS2
SCHEMBL3474179 0.87 RXRA (0.67) RXRANR1H2NR1H3PTGS1EPHX2
SCHEMBL3473710 0.86 RXRA (0.69) RXRANR1H2NR1H3PTGS1EPHX2
SCHEMBL3471131 0.86 RXRA (0.73) RXRANR1H2NR1H3PTGS1PTGS2

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.