SCHEMBL417986

SCHEMBL417986

NC(CCN(CCCCN(CC(=O)O)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.53
PAX8 Q06710 1/20 0.53
IDO1 P14902 1/20 0.38
SLC1A3 P43003 1/20 0.37
SLC1A1 P43005 1/20 0.37
LTA4H P09960 4/20 0.37
ANPEP P15144 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SLC15A1 P46059 2/20 0.36
LAP3 P28838 1/20 0.36
CCKBR P32239 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC1A5 Q15758 1/20 0.36

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
SCHEMBL415523 0.89 CCR6 (0.54) CCR6PAX8IDO1SLC1A3SLC1A1
SCHEMBL27944748 0.88 CCR6 (0.53) CCR6PAX8IDO1SLC1A3SLC1A1
SCHEMBL16921501 0.85 CCR6 (0.49) CCR6PAX8SLC1A3SLC1A1LTA4H
SCHEMBL417676 0.83 CCR6 (0.52) CCR6PAX8IDO1SLC1A3SLC1A1
SCHEMBL29875737 0.82 CCR6 (0.56) CCR6PAX8ALDH1A1
SCHEMBL31692756 0.82 LTA4H (0.43) CCR6PAX8LTA4H
SCHEMBL8501765 0.80 CCR6 (0.45) CCR6PAX8IDO1SLC1A3SLC1A1
SCHEMBL27345619 0.80 CCR6 (0.56) CCR6PAX8ALDH1A1CCKBR
SCHEMBL7893066 0.80 CCR6 (0.41) CCR6PAX8IDO1SLC1A3SLC1A1
SCHEMBL417987 0.79 CCR6 (0.46) CCR6PAX8ALDH1A1SLC15A1CCKBR

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-20120022273-A1 PROCESS FOR THE PREPARATION OF (POLY) AMINOALKYLAMINOACETAMIDE DERIVATIVES OF EPIPODOPHYLLOTOXIN USEFUL FOR THEIR APPLICATIONS IN THERAPEUTICS AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2012-01-26 US claimed

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-20120022273-A1 PROCESS FOR THE PREPARATION OF (POLY) AMINOALKYLAMINOACETAMIDE DERIVATIVES OF EPIPODOPHYLLOTOXIN USEFUL FOR THEIR APPLICATIONS IN THERAPEUTICS AS ANTICANCER AGENT PTMA, NPEPPS, DNPEP CCR6 3824/4885PAX8 2180/4885IDO1 1190/4885

“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.