SCHEMBL6497478

SCHEMBL6497478

COc1ccccc1Oc1cccc(CN2CCC(O)(c3cc4ccccc4cc3S(=O)(=O)O)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 14/20 0.68
KCNH2 Q12809 5/20 0.53
MGLL Q99685 1/20 0.49
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 1/20 0.43
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
ADAM17 P78536 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
SCHEMBL7063399 0.89 CCR8 (0.83) CCR8KCNH2MGLLMEN1KMT2A
SCHEMBL6496931 0.89 CCR8 (0.53) CCR8KCNH2MGLL
SCHEMBL6496005 0.82 CCR8 (0.73) CCR8KCNH2MGLLMEN1KMT2A
SCHEMBL6501296 0.81 CCR8 (0.86) CCR8KCNH2MGLLMEN1KMT2A
SCHEMBL6509148 0.81 CCR8 (1.00) CCR8KCNH2MGLLMEN1KMT2A
SCHEMBL6502733 0.81 CCR8 (0.66) CCR8KCNH2MGLLMEN1KMT2A
SCHEMBL6500805 0.80 CCR8 (1.00) CCR8KCNH2MGLLMEN1KMT2A
SCHEMBL6507168 0.80 CCR8 (0.70) CCR8KCNH2MGLLMEN1KMT2A
SCHEMBL7070871 0.79 CCR8 (0.84) CCR8KCNH2MGLLMEN1KMT2A
SCHEMBL6500877 0.79 CCR8 (0.71) CCR8KCNH2MGLLMEN1KMT2A

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 4349/4885MGLL 997/4885

“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.