SCHEMBL4704081

SCHEMBL4704081

NCCCN(CCCCN(CCCNC(=O)OCc1ccccc1)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.60
PAX8 Q06710 1/20 0.60
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TGM2 P21980 1/20 0.48
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
CPB1 P15086 1/20 0.44
CPB2 Q96IY4 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
ANPEP P15144 1/20 0.44
SLC1A3 P43003 1/20 0.43
SLC1A1 P43005 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
FOLH1 Q04609 2/20 0.42

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
SCHEMBL3760231 0.98 CCR6 (0.57) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL415520 0.96 CCR6 (0.64) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL2076254 0.95 CCR6 (0.62) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL416941 0.94 CCR6 (0.64) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL417675 0.94 CCR6 (0.60) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL2076561 0.94 CCR6 (0.60) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL3770984 0.94 HTT (0.59) CCR6PAX8HTTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL9501043 0.93 CCR6 (0.62) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL17872132 0.93 HTT (0.58) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL2075425 0.92 CCR6 (0.60) CCR6PAX8HTTLMNASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403840-B2 (Poly) aminoacetamide derivatives of epipodophyllotoxin their process of preparation and their applications in therapeutics as anticancer agents PIERRE FABRE MEDICAMENT (FR) 2016-08-02 US disclosed
US-20150368258-A1 (POLY) AMINOACETAMIDE DERIVATIVES OF EPIPODOPHYLLOTOXIN THEIR PROCESS OF PREPARATION AND THEIR APPLICATIONS IN THERAPEUTICS AS ANTICANCER AGENTS PIERRE FABRE MEDICAMENT (FR) 2015-12-24 US disclosed
EP-1742952-B1 (POLY) AMINOACETAMIDE DERIVATIVES OF EPIPODOPHYLLOTOXIN, THEIR PROCESS OF PREPARATION AND THEIR APPLICATIONS IN THERAPEUTICS AS ANTICANCER AGENTS PF MEDICAMENT (FR) 2008-07-30 EP disclosed
EP-1742952-A1 (POLY) AMINOACETAMIDE DERIVATIVES OF EPIPODOPHYLLOTOXIN, THEIR PROCESS OF PREPARATION AND THEIR APPLICATIONS IN THERAPEUTICS AS ANTICANCER AGENTS PIERRE FABRE MEDICAMENT (FR) 2007-01-17 EP disclosed
WO-2005100363-A1 (POLY) AMINOACETAMIDE DERIVATIVES OF EPIPODOPHYLLOTOXIN THEIR PROCESS OF PREPARATION AND THEIR APPLICATIONS IN THERAPEUTICS AS ANTICANCER AGENTS PIERRE FABRE MEDICAMENT (FR) 2005-10-27 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-20150368258-A1 (POLY) AMINOACETAMIDE DERIVATIVES OF EPIPODOPHYLLOTOXIN THEIR PROCESS OF PREPARATION AND THEIR APPLICATIONS IN THERAPEUTICS AS ANTICANCER AGENTS NPEPPS, PTMA, PARN CCR6 2465/4885PAX8 1413/4885HTT 2186/4885

“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.