SCHEMBL3474615

SCHEMBL3474615

COC(=O)c1cc(-c2sccc2-c2cccc(S(C)(=O)=O)c2)n(-c2ccccc2Cl)n1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.71
RXRA P19793 6/20 0.71
NR1H3 Q13133 6/20 0.71
SMN1; SMN2 Q16637 1/20 0.39
SLC16A3 O15427 2/20 0.37
SLC16A1 P53985 1/20 0.37
MCTS1 Q9ULC4 1/20 0.37
PTGS2 P35354 2/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
KCNH2 Q12809 1/20 0.37
MARS1 P56192 1/20 0.35

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
SCHEMBL15229742 0.83 NR1H2 (0.77) NR1H2RXRANR1H3SMN1; SMN2SLC16A3
SCHEMBL3470760 0.83 NR1H2 (1.00) NR1H2RXRANR1H3SMN1; SMN2SLC16A3
SCHEMBL16455282 0.81 NR1H2 (0.71) NR1H2RXRANR1H3SMN1; SMN2SLC16A3
SCHEMBL15229903 0.81 NR1H2 (0.71) NR1H2RXRANR1H3SMN1; SMN2SLC16A3
SCHEMBL16455278 0.80 NR1H2 (0.70) NR1H2RXRANR1H3SMN1; SMN2SLC16A3
SCHEMBL16455504 0.80 NR1H2 (0.70) NR1H2RXRANR1H3SMN1; SMN2SLC16A3
SCHEMBL3474695 0.80 NR1H2 (0.70) NR1H2RXRANR1H3SMN1; SMN2SLC16A3
SCHEMBL3474296 0.80 NR1H2 (0.70) NR1H2RXRANR1H3SMN1; SMN2SLC16A3
SCHEMBL16455590 0.79 NR1H2 (0.71) NR1H2RXRANR1H3SMN1; SMN2SLC16A3
SCHEMBL14622602 0.77 NR1H2 (0.63) NR1H2RXRANR1H3SMN1; SMN2SLC16A3

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 2 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 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.