SCHEMBL3473970

SCHEMBL3473970

CC(C)OC(=O)c1cc(-c2ccc(-c3cccc(S(N)(=O)=O)c3)s2)n(-c2cc(Cl)ccc2Cl)n1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.59
NR1H2 P55055 4/20 0.59
NR1H3 Q13133 4/20 0.59
SMN1; SMN2 Q16637 1/20 0.41
PTGS2 P35354 5/20 0.40
PTGS1 P23219 3/20 0.40
ALOX5 P09917 1/20 0.40
CHRNA7 P36544 4/20 0.40
CA9 Q16790 1/20 0.37
MAPK9 P45984 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3472772 0.91 RXRA (0.71) RXRANR1H2NR1H3SMN1; SMN2PTGS2
SCHEMBL3473779 0.88 RXRA (0.57) RXRANR1H2NR1H3SMN1; SMN2PTGS2
SCHEMBL28805335 0.82 RXRA (0.53) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3473371 0.82 RXRA (0.69) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3473537 0.80 RXRA (0.67) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL15690867 0.79 RXRA (0.69) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3471449 0.74 NR1H2 (0.67) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3470760 0.74 NR1H2 (1.00) RXRANR1H2NR1H3SMN1; SMN2
SCHEMBL3473410 0.74 RXRA (0.82) RXRANR1H2NR1H3
SCHEMBL3471965 0.73 RXRA (0.65) RXRANR1H2NR1H3PTGS2PTGS1

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 8 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
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO 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.