SCHEMBL3474653

SCHEMBL3474653

CCOC(=O)C1CCCCN1C(=O)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(-c2ccccc2Cl)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.62
RXRA P19793 6/20 0.62
NR1H3 Q13133 6/20 0.62
PTGS1 P23219 1/20 0.41
EPHX2 P34913 1/20 0.41
PTGS2 P35354 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
FKBP1A P62942 1/20 0.37
USP2 O75604 2/20 0.37
TSHR P16473 2/20 0.37
FAAH O00519 1/20 0.37
GAA P10253 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
SCHEMBL3474279 0.90 RXRA (0.65) NR1H2RXRANR1H3ALDH1A1KDM4E
SCHEMBL3474080 0.87 RXRA (0.65) NR1H2RXRANR1H3PTGS1EPHX2
SCHEMBL3471663 0.86 RXRA (0.56) NR1H2RXRANR1H3MEN1KMT2A
SCHEMBL3474153 0.84 RXRA (0.65) NR1H2RXRANR1H3HPGDCPT2
SCHEMBL3472730 0.84 RXRA (0.62) NR1H2RXRANR1H3MEN1KMT2A
SCHEMBL3471296 0.83 RXRA (0.74) NR1H2RXRANR1H3PTGS1PTGS2
SCHEMBL3472436 0.82 RXRA (0.73) NR1H2RXRANR1H3PTGS1PTGS2
SCHEMBL3473742 0.81 RXRA (0.66) NR1H2RXRANR1H3PTGS1EPHX2
SCHEMBL14624806 0.81 RXRA (0.66) NR1H2RXRANR1H3PTGS1EPHX2
SCHEMBL3471665 0.81 RXRA (0.73) NR1H2RXRANR1H3PTGS1EPHX2

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 NR1H2 1/4885RXRA 18/4885NR1H3 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.