SCHEMBL6506162

SCHEMBL6506162

O=S(=O)(O)c1ccc(-c2ccccc2)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
KCNH2 Q12809 4/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
CACNA1F O60840 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRB1 P08588 1/20 0.46
DRD2 P14416 1/20 0.46
SLC6A2 P23975 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
ADRA1B P35368 1/20 0.46
OPRM1 P35372 1/20 0.46

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
SCHEMBL7064954 0.87 CCR8 (0.70) CCR8KCNH2KDM4EALDH1A1LMNA
SCHEMBL6496931 0.87 CCR8 (0.53) CCR8KCNH2KDM4EALDH1A1LMNA
SCHEMBL6498159 0.79 CCR8 (0.59) CCR8KCNH2KDM4EALDH1A1LMNA
SCHEMBL6499368 0.77 CCR8 (0.53) CCR8KCNH2KDM4EALDH1A1LMNA
SCHEMBL7065039 0.77 CCR8 (0.68) CCR8KCNH2KDM4EALDH1A1LMNA
SCHEMBL6497478 0.77 CCR8 (0.68) CCR8KCNH2MGLLMEN1KMT2A
SCHEMBL7129026 0.77 OPRL1 (0.69) CCR8KCNH2KDM4EALDH1A1LMNA
SCHEMBL6501070 0.77 CCR8 (0.86) CCR8KCNH2KDM4EALDH1A1TDP1
SCHEMBL6498202 0.77 CCR8 (0.57) CCR8KCNH2KDM4EALDH1A1LMNA
SCHEMBL6506653 0.76 CCR8 (0.70) CCR8KCNH2KDM4EALDH1A1LMNA

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 1 patent. 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

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 1/4885KCNH2 4349/4885KDM4E 4617/4885

“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.