SCHEMBL2076562

SCHEMBL2076562

NCCCN(CCC(Cc1ccccc1)N(CCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
CCR6 P51684 1/20 0.43
PAX8 Q06710 1/20 0.43
CPB1 P15086 1/20 0.43
CPB2 Q96IY4 1/20 0.43
SLC1A3 P43003 1/20 0.41
SLC1A1 P43005 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TGM2 P21980 1/20 0.41
FOLH1 Q04609 3/20 0.41
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
ANPEP P15144 1/20 0.40
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 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
SCHEMBL3770984 0.86 HTT (0.59) HTTCCR6PAX8CPB1CPB2
SCHEMBL3760231 0.85 CCR6 (0.57) HTTCCR6PAX8CPB1CPB2
SCHEMBL4704081 0.85 CCR6 (0.60) HTTCCR6PAX8CPB1CPB2
SCHEMBL2076254 0.82 CCR6 (0.62) HTTCCR6PAX8CPB1CPB2
SCHEMBL17872132 0.82 HTT (0.58) HTTCCR6PAX8CPB1CPB2
SCHEMBL415520 0.81 CCR6 (0.64) HTTCCR6PAX8CPB1CPB2
SCHEMBL2076561 0.81 CCR6 (0.60) HTTCCR6PAX8CPB1CPB2
SCHEMBL19934104 0.81 CCR6 (0.53) HTTCCR6PAX8SLC1A3SLC1A1
SCHEMBL417675 0.79 CCR6 (0.60) HTTCCR6PAX8CPB1CPB2
SCHEMBL416941 0.79 CCR6 (0.64) HTTCCR6PAX8CPB1CPB2

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-9216989-B2 (Poly) aminoacetamide derivatives of epipodophyllotoxin their process of preparation and their applications in therapeutics as anticancer agents PIERRE FABRE MEDICAMENT (FR) 2015-12-22 US disclosed
US-20110053967-A1 (POLY) AMINOACETAMIDE DERIVATIVES OF EPIPODOPHYLLOTOXIN THEIR PROCESS OF PREPARATION AND THEIR APPLICATIONS IN THERAPEUTICS AS ANTICANCER AGENTS IMBERT THIERRY 2011-03-03 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-20110053967-A1 (POLY) AMINOACETAMIDE DERIVATIVES OF EPIPODOPHYLLOTOXIN THEIR PROCESS OF PREPARATION AND THEIR APPLICATIONS IN THERAPEUTICS AS ANTICANCER AGENTS NPEPPS, PTMA, PARN HTT 2186/4885CCR6 2465/4885PAX8 1413/4885

“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.