SCHEMBL461996

SCHEMBL461996

NC(CCCCNC(=O)OCc1ccccc1)(CCCN(CCCCN(CC(=O)O)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.48
PAX8 Q06710 1/20 0.48
HTT P42858 1/20 0.47
TGM2 P21980 1/20 0.43
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FOLH1 Q04609 6/20 0.41
ANPEP P15144 1/20 0.40
DPP8 Q6V1X1 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
DPP4 P27487 1/20 0.39
DPP9 Q86TI2 1/20 0.39

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
SCHEMBL415526 0.88 CCR6 (0.60) CCR6PAX8HTTTGM2KEAP1
SCHEMBL413798 0.87 CCR6 (0.59) CCR6PAX8HTTTGM2KEAP1
SCHEMBL10025427 0.86 CCR6 (0.58) CCR6PAX8HTTTGM2KEAP1
SCHEMBL413768 0.86 CCR6 (0.64) CCR6PAX8HTTTGM2KEAP1
SCHEMBL413839 0.85 CCR6 (0.62) CCR6PAX8HTTTGM2KEAP1
SCHEMBL9699019 0.84 HTT (0.63) CCR6PAX8HTTTGM2KEAP1
SCHEMBL461995 0.82 HTT (0.47) CCR6PAX8HTTTGM2KEAP1
SCHEMBL13884597 0.82 CCR6 (0.61) CCR6PAX8HTTTGM2KEAP1
SCHEMBL9766156 0.80 HTT (0.69) CCR6PAX8HTTTGM2KEAP1
SCHEMBL2075425 0.79 CCR6 (0.60) CCR6PAX8HTTTGM2KEAP1

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 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-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 2180/4885HTT 2168/4885

“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.