SCHEMBL3471939

SCHEMBL3471939

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(=O)NCCCN4CCCC4)nn3-c3ccccc3Cl)s2)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.66
NR1H2 P55055 6/20 0.66
NR1H3 Q13133 6/20 0.66
PTGS2 P35354 1/20 0.45
HTR2A P28223 9/20 0.43
HTR2C P28335 9/20 0.43
SLC6A4 P31645 9/20 0.43
HTR7 P34969 4/20 0.43
DRD3 P35462 5/20 0.42
KCNH2 Q12809 4/20 0.42
DRD2 P14416 4/20 0.42
DRD4 P21917 4/20 0.42
HTR1A P08908 3/20 0.42
HTR6 P50406 3/20 0.42
CYP2C9 P11712 1/20 0.41
ACKR3 P25106 1/20 0.41

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
SCHEMBL3474400 0.98 RXRA (0.65) RXRANR1H2NR1H3PTGS2HTR2A
SCHEMBL3474692 0.95 RXRA (0.68) RXRANR1H2NR1H3PTGS2HTR2A
SCHEMBL3471055 0.95 RXRA (0.67) RXRANR1H2NR1H3PTGS2HTR2A
SCHEMBL3472783 0.94 RXRA (0.64) RXRANR1H2NR1H3PTGS2
SCHEMBL3474122 0.90 RXRA (0.73) RXRANR1H2NR1H3PTGS2
SCHEMBL15690864 0.90 RXRA (0.54) RXRANR1H2NR1H3PTGS2HTR2A
SCHEMBL3472291 0.90 RXRA (0.60) RXRANR1H2NR1H3
SCHEMBL3473578 0.89 RXRA (0.65) RXRANR1H2NR1H3PTGS2
SCHEMBL3474729 0.89 RXRA (0.71) RXRANR1H2NR1H3PTGS2
SCHEMBL14624827 0.88 RXRA (0.75) RXRANR1H2NR1H3PTGS2

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.