SCHEMBL3474644

SCHEMBL3474644

CCN(CC)CCNC(=O)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(-c2ccccc2Cl)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.69
NR1H2 P55055 6/20 0.69
NR1H3 Q13133 6/20 0.69
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ACKR3 P25106 3/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
STAT6 P42226 1/20 0.39
KCNH2 Q12809 1/20 0.39
CAMK2D Q13557 1/20 0.39
MALT1 Q9UDY8 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 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
SCHEMBL3474852 0.92 RXRA (0.71) RXRANR1H2NR1H3CAMK2DMALT1
SCHEMBL3471646 0.91 NR1H2 (0.69) RXRANR1H2NR1H3ACKR3CAMK2D
SCHEMBL14624827 0.90 RXRA (0.75) RXRANR1H2NR1H3MALT1CNR1
SCHEMBL3474717 0.90 RXRA (0.70) RXRANR1H2NR1H3ACKR3MALT1
SCHEMBL3472973 0.90 NR1H2 (0.77) RXRANR1H2NR1H3MALT1CNR1
SCHEMBL3474122 0.89 RXRA (0.73) RXRANR1H2NR1H3MALT1CNR1
SCHEMBL3474729 0.88 RXRA (0.71) RXRANR1H2NR1H3MALT1CNR1
SCHEMBL3472550 0.88 NR1H2 (0.69) RXRANR1H2NR1H3CNR1
SCHEMBL3473248 0.87 RXRA (0.64) RXRANR1H2NR1H3MAPK1ALDH1A1
SCHEMBL3472716 0.87 NR1H2 (0.68) RXRANR1H2NR1H3CNR1

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.