SCHEMBL3472261

SCHEMBL3472261

CN(C(=O)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(-c2ccccc2Cl)n1)c1ccncc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.70
NR1H2 P55055 9/20 0.70
NR1H3 Q13133 9/20 0.70
CNR1 P21554 1/20 0.38
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
MCTS1 Q9ULC4 1/20 0.36
FLT3 P36888 2/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
S1PR1 P21453 1/20 0.34
HSD17B1 P14061 4/20 0.33
HSD17B2 P37059 4/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL14624037 0.93 RXRA (0.59) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL3473692 0.89 RXRA (0.77) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL15641670 0.88 NR1H2 (0.67) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL3470680 0.88 RXRA (0.69) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL3474304 0.86 NR1H2 (0.71) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL3474995 0.86 NR1H2 (0.78) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL3471545 0.85 RXRA (0.74) RXRANR1H2NR1H3CNR1
SCHEMBL3473243 0.85 NR1H2 (0.71) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL3474529 0.85 RXRA (0.71) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL3473473 0.84 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 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.