SCHEMBL6499368

SCHEMBL6499368

CCN(CC)S(=O)(=O)c1ccc(C)cc1C1(O)CCN(Cc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 9/20 0.53
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
KCNH2 Q12809 4/20 0.46
FAAH O00519 2/20 0.46
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
CHRM2 P08172 2/20 0.42
CACNA1F O60840 1/20 0.42
ADRB1 P08588 1/20 0.42
DRD2 P14416 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL6502733 0.91 CCR8 (0.66) CCR8ALDH1A1KCNH2HTT
SCHEMBL6498159 0.86 CCR8 (0.59) CCR8KDM4EALDH1A1TDP1KCNH2
SCHEMBL6498202 0.83 CCR8 (0.57) CCR8KDM4EALDH1A1TDP1KCNH2
SCHEMBL6509206 0.81 CCR8 (0.64) CCR8KDM4EALDH1A1TDP1KCNH2
SCHEMBL6496931 0.78 CCR8 (0.53) CCR8KDM4EALDH1A1TDP1KCNH2
SCHEMBL6506162 0.77 CCR8 (0.53) CCR8KDM4EALDH1A1TDP1KCNH2
SCHEMBL6496005 0.77 CCR8 (0.73) CCR8ALDH1A1KCNH2
SCHEMBL7065039 0.77 CCR8 (0.68) CCR8KDM4EALDH1A1TDP1KCNH2
SCHEMBL6501070 0.77 CCR8 (0.86) CCR8KDM4EALDH1A1TDP1KCNH2
SCHEMBL7064954 0.77 CCR8 (0.70) CCR8KDM4EALDH1A1TDP1KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 US disclosed
WO-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 CCR8 1/4885KDM4E 4617/4885ALDH1A1 1071/4885

“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.