SCHEMBL3474296

SCHEMBL3474296

COC(=O)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cn2)n(-c2ccccc2Cl)n1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.70
RXRA P19793 5/20 0.70
NR1H3 Q13133 5/20 0.70
KCNH2 Q12809 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
SLC16A3 O15427 1/20 0.40
SLC16A1 P53985 1/20 0.40
MCTS1 Q9ULC4 1/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
FYN P06241 1/20 0.39
PLK4 O00444 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL27716917 0.85 RXRA (0.55) NR1H2RXRANR1H3KCNH2SLC16A3
SCHEMBL3472983 0.83 RXRA (0.69) NR1H2RXRANR1H3KCNH2SLC16A3
SCHEMBL3474695 0.82 NR1H2 (0.70) NR1H2RXRANR1H3KCNH2SMN1; SMN2
SCHEMBL3475403 0.82 NR1H2 (0.58) NR1H2RXRANR1H3KCNH2SMN1; SMN2
SCHEMBL3470760 0.82 NR1H2 (1.00) NR1H2RXRANR1H3KCNH2SMN1; SMN2
SCHEMBL15229742 0.82 NR1H2 (0.77) NR1H2RXRANR1H3KCNH2SMN1; SMN2
SCHEMBL15229903 0.81 NR1H2 (0.71) NR1H2RXRANR1H3SMN1; SMN2SLC16A3
SCHEMBL16455590 0.80 NR1H2 (0.71) NR1H2RXRANR1H3SMN1; SMN2SLC16A3
SCHEMBL3474615 0.80 NR1H2 (0.71) NR1H2RXRANR1H3KCNH2SMN1; SMN2
SCHEMBL3472319 0.80 RXRA (0.57) NR1H2RXRANR1H3KCNH2SMN1; SMN2

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 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
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP 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 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.