SCHEMBL3470786

SCHEMBL3470786

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(CN4CCCCCC4c4ccccn4)nn3-c3ccccc3Cl)s2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.54
NR1H2 P55055 7/20 0.54
NR1H3 Q13133 7/20 0.54
LMNA P02545 1/20 0.39
POLB P06746 2/20 0.39
CXCR4 P61073 3/20 0.39
SLC16A3 O15427 5/20 0.37
SLC16A1 P53985 5/20 0.37
MCTS1 Q9ULC4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
EPHX2 P34913 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
SCHEMBL3472802 0.90 NR1H2 (0.57) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3472301 0.89 NR1H2 (0.56) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3473350 0.89 NR1H2 (0.56) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471578 0.88 NR1H2 (0.55) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3472797 0.88 NR1H2 (0.55) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471489 0.88 RXRA (0.54) RXRANR1H2NR1H3LMNASLC16A3
SCHEMBL3473340 0.88 NR1H2 (0.56) RXRANR1H2NR1H3LMNASLC16A3
SCHEMBL3474053 0.86 NR1H2 (0.58) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471207 0.86 RXRA (0.54) RXRANR1H2NR1H3LMNASLC16A3
SCHEMBL3473838 0.86 RXRA (0.54) RXRANR1H2NR1H3SLC16A3SLC16A1

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 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
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 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.