SCHEMBL3474419

SCHEMBL3474419

COc1ccc(C(CNC(=O)c2cc(-c3ccc(-c4cccc(S(C)(=O)=O)c4)s3)n(-c3ccccc3Cl)n2)N(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.65
NR1H2 P55055 6/20 0.65
NR1H3 Q13133 6/20 0.65
OPRM1 P35372 6/20 0.41
OPRD1 P41143 6/20 0.41
ALDH1A1 P00352 1/20 0.41
UBE2N P61088 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 1/20 0.37
SLC16A3 O15427 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 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
SCHEMBL3473251 0.87 RXRA (0.72) RXRANR1H2NR1H3ALDH1A1KMT2A
SCHEMBL3471727 0.84 NR1H2 (0.72) RXRANR1H2NR1H3SLC16A3
SCHEMBL3472477 0.83 RXRA (0.71) RXRANR1H2NR1H3ALDH1A1KMT2A
SCHEMBL3474318 0.83 NR1H2 (0.70) RXRANR1H2NR1H3SLC16A3
SCHEMBL3472973 0.82 NR1H2 (0.77) RXRANR1H2NR1H3SLC16A3
SCHEMBL3474852 0.82 RXRA (0.71) RXRANR1H2NR1H3SLC16A3
SCHEMBL14624827 0.82 RXRA (0.75) RXRANR1H2NR1H3SLC16A3
SCHEMBL3474717 0.81 RXRA (0.70) RXRANR1H2NR1H3
SCHEMBL3471550 0.81 RXRA (0.75) RXRANR1H2NR1H3ALDH1A1SLC16A3
SCHEMBL3471465 0.81 RXRA (0.72) RXRANR1H2NR1H3ALDH1A1KMT2A

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 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.