SCHEMBL3472935

SCHEMBL3472935

CCN1CCC(CNC(=O)c2cc(-c3ccc(-c4cccc(S(C)(=O)=O)c4)s3)n(-c3ccccc3Cl)n2)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.65
NR1H2 P55055 6/20 0.65
NR1H3 Q13133 6/20 0.65
SGK1 O00141 1/20 0.39
ACKR3 P25106 2/20 0.39
VCP P55072 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM4 P08173 1/20 0.36
MALT1 Q9UDY8 2/20 0.36
USP30 Q70CQ3 1/20 0.36
PIK3CD O00329 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
SCHEMBL3472973 0.85 NR1H2 (0.77) RXRANR1H2NR1H3MALT1CNR1
SCHEMBL3474975 0.85 RXRA (0.69) RXRANR1H2NR1H3VCPMALT1
SCHEMBL14624827 0.83 RXRA (0.75) RXRANR1H2NR1H3MALT1CNR1
SCHEMBL3474692 0.83 RXRA (0.68) RXRANR1H2NR1H3MALT1CNR1
SCHEMBL3473885 0.83 RXRA (0.68) RXRANR1H2NR1H3DRD2DRD3
SCHEMBL3471055 0.82 RXRA (0.67) RXRANR1H2NR1H3CNR1
SCHEMBL3473710 0.82 RXRA (0.69) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3474122 0.81 RXRA (0.73) RXRANR1H2NR1H3MALT1CNR1
SCHEMBL3470791 0.81 RXRA (0.73) RXRANR1H2NR1H3MALT1CNR1
SCHEMBL3471939 0.81 RXRA (0.66) RXRANR1H2NR1H3ACKR3DRD2

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.