SCHEMBL3474953

SCHEMBL3474953

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(=O)N[C@H](CO)C(=O)O)nn3-c3ccccc3Cl)s2)c1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.72
NR1H2 P55055 7/20 0.72
NR1H3 Q13133 7/20 0.72
NTSR1 P30989 5/20 0.41
CNR1 P21554 2/20 0.40
SLC16A3 O15427 1/20 0.39
SLC16A1 P53985 1/20 0.39
MCTS1 Q9ULC4 1/20 0.39
PTGS2 P35354 2/20 0.37
ITGB1 P05556 2/20 0.37
ITGA4 P13612 2/20 0.37
ITGB7 P26010 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37

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
SCHEMBL3474331 0.93 RXRA (0.73) RXRANR1H2NR1H3NTSR1CNR1
SCHEMBL3471679 0.92 NR1H2 (0.72) RXRANR1H2NR1H3NTSR1CNR1
SCHEMBL3471372 0.92 NR1H2 (0.69) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL3472840 0.92 NR1H2 (0.69) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL14623604 0.89 RXRA (0.68) RXRANR1H2NR1H3NTSR1CNR1
SCHEMBL3472973 0.88 NR1H2 (0.77) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL14624827 0.88 RXRA (0.75) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL14623269 0.87 RXRA (0.80) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL3474318 0.87 NR1H2 (0.70) RXRANR1H2NR1H3NTSR1CNR1
SCHEMBL3471734 0.86 RXRA (0.81) RXRANR1H2NR1H3CNR1SLC16A3

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 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
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.