SCHEMBL6501070

SCHEMBL6501070

CCNS(=O)(=O)c1ccc(OC)cc1C1(O)CCN(Cc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 6/20 0.86
FAAH O00519 6/20 0.49
MMP1 P03956 2/20 0.48
MMP9 P14780 2/20 0.48
MMP13 P45452 2/20 0.48
ADAM17 P78536 2/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 1/20 0.43

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
SCHEMBL6509148 0.93 CCR8 (1.00) CCR8MMP1MMP9MMP13ADAM17
SCHEMBL6506653 0.90 CCR8 (0.70) CCR8FAAHKDM4EALDH1A1TDP1
SCHEMBL7064954 0.90 CCR8 (0.70) CCR8FAAHKDM4EALDH1A1TDP1
SCHEMBL7065039 0.89 CCR8 (0.68) CCR8FAAHKDM4EALDH1A1TDP1
SCHEMBL6509206 0.85 CCR8 (0.64) CCR8FAAHKDM4EALDH1A1TDP1
SCHEMBL6507972 0.84 CCR8 (0.63) CCR8FAAHMMP1MMP9MMP13
SCHEMBL6501296 0.84 CCR8 (0.86) CCR8MMP1MMP9MMP13ADAM17
SCHEMBL7070871 0.84 CCR8 (0.84) CCR8FAAHMMP1MMP9MMP13
SCHEMBL7063399 0.83 CCR8 (0.83) CCR8MMP1MMP9MMP13ADAM17
SCHEMBL6498159 0.81 CCR8 (0.59) CCR8FAAHKDM4EALDH1A1TDP1

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 1/4885FAAH 664/4885MMP1 991/4885

“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.