SCHEMBL3473807

SCHEMBL3473807

COC(=O)c1cccc(-n2nc(C(=O)OC)cc2-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)c1

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
SMN1; SMN2 Q16637 1/20 0.41
PTGS2 P35354 1/20 0.41
SDHB P21912 1/20 0.41
CNR1 P21554 2/20 0.40
PRF1 P14222 1/20 0.39
KCNH2 Q12809 1/20 0.39
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL3472750 0.89 RXRA (0.61) NR1H2RXRANR1H3SMN1; SMN2PTGS2
SCHEMBL3472169 0.88 NR1H2 (0.71) NR1H2RXRANR1H3SMN1; SMN2PTGS2
SCHEMBL3471294 0.84 NR1H2 (0.83) NR1H2RXRANR1H3SMN1; SMN2PTGS2
SCHEMBL3470760 0.83 NR1H2 (1.00) NR1H2RXRANR1H3SMN1; SMN2CNR1
SCHEMBL3471651 0.81 NR1H2 (0.78) NR1H2RXRANR1H3SMN1; SMN2PTGS2
SCHEMBL3471848 0.81 RXRA (0.61) NR1H2RXRANR1H3PTGS2CNR1
SCHEMBL14622666 0.75 NR1H2 (0.54) NR1H2RXRANR1H3PTGS2CNR1
SCHEMBL27738068 0.75 RXRA (0.60) NR1H2RXRANR1H3SMN1; SMN2PTGS2
SCHEMBL12361527 0.75 RXRA (0.54) NR1H2RXRANR1H3SMN1; SMN2PTGS2
SCHEMBL3471406 0.74 RXRA (0.67) NR1H2RXRANR1H3SMN1; SMN2PTGS2

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.