SCHEMBL3473779

SCHEMBL3473779

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.57
NR1H2 P55055 4/20 0.57
NR1H3 Q13133 4/20 0.57
CHRNA7 P36544 5/20 0.49
PTGS2 P35354 3/20 0.43
PTGS1 P23219 2/20 0.43
ALOX5 P09917 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
MARS1 P56192 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CNR1 P21554 1/20 0.38
MAPK9 P45984 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
SCHEMBL15690867 0.91 RXRA (0.69) RXRANR1H2NR1H3CHRNA7PTGS2
SCHEMBL3472772 0.90 RXRA (0.71) RXRANR1H2NR1H3CHRNA7PTGS2
SCHEMBL3473970 0.88 RXRA (0.59) RXRANR1H2NR1H3CHRNA7PTGS2
SCHEMBL28805335 0.87 RXRA (0.53) RXRANR1H2NR1H3CHRNA7PTGS2
SCHEMBL3473371 0.86 RXRA (0.69) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3473537 0.84 RXRA (0.67) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3472055 0.82 NR1H2 (0.81) RXRANR1H2NR1H3CHRNA7PTGS2
SCHEMBL3473405 0.79 RXRA (0.60) RXRANR1H2NR1H3CHRNA7PTGS2
SCHEMBL3472145 0.78 NR1H2 (0.67) RXRANR1H2NR1H3CHRNA7PTGS2
SCHEMBL3473410 0.78 RXRA (0.82) RXRANR1H2NR1H3CNR1

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 3 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-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.