SCHEMBL417987

SCHEMBL417987

NC(CCC(=O)OCc1ccccc1)N(CCCCN(CC(=O)O)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.46
PAX8 Q06710 1/20 0.46
CCKBR P32239 2/20 0.41
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
CASP1 P29466 1/20 0.36
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
SLC15A1 P46059 2/20 0.35
CA4 P22748 2/20 0.35

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
SCHEMBL415524 0.89 CCR6 (0.48) CCR6PAX8CCKBRALDH1A1MAPK1
SCHEMBL417677 0.80 ALDH1A1 (0.40) CCR6PAX8CCKBRALDH1A1MAPK1
SCHEMBL417986 0.79 CCR6 (0.53) CCR6PAX8CCKBRALDH1A1SLC15A1
SCHEMBL16921501 0.78 CCR6 (0.49) CCR6PAX8SLC15A1
SCHEMBL29875737 0.78 CCR6 (0.56) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL27345619 0.75 CCR6 (0.56) CCR6PAX8CCKBRALDH1A1MAPK1
SCHEMBL11297150 0.74 CCR6 (0.55) CCR6PAX8CCKBRALDH1A1MAPK1
SCHEMBL6956687 0.74 CCR6 (0.55) CCR6PAX8CCKBRALDH1A1MAPK1
SCHEMBL24821066 0.74 CCR6 (0.54) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL801192 0.73 CCR6 (0.54) CCR6PAX8ALDH1A1MAPK1L3MBTL1

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 2180/4885CCKBR 2101/4885

“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.