SCHEMBL413768

SCHEMBL413768

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.64
PAX8 Q06710 1/20 0.64
HTT P42858 1/20 0.60
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TGM2 P21980 1/20 0.51
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 2/20 0.50
FOLH1 Q04609 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
ANPEP P15144 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A1 P43005 1/20 0.43

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
SCHEMBL413839 0.99 CCR6 (0.62) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL415526 0.98 CCR6 (0.60) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL9699019 0.97 HTT (0.63) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL413798 0.96 CCR6 (0.59) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL10025427 0.95 CCR6 (0.58) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL13884597 0.93 CCR6 (0.61) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL10025433 0.91 CCR6 (0.61) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL10025426 0.90 CCR6 (0.60) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL1919339 0.89 HTT (0.70) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL9766156 0.89 HTT (0.69) 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 7 patents. 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
US-8664409-B2 Process for the preparation of (poly) aminoalkylaminoacetamide derivatives of epipodophyllotoxin useful for their applications in therapeutics as anticancer agent PIERRE FABRE MEDICAMENT (FR) 2014-03-04 US disclosed
US-8664409-B2 Process for the preparation of (poly) aminoalkylaminoacetamide derivatives of epipodophyllotoxin useful for their applications in therapeutics as anticancer agent PIERRE FABRE MEDICAMENT (FR) 2014-03-04 US disclosed
US-8664409-B2 Process for the preparation of (poly) aminoalkylaminoacetamide derivatives of epipodophyllotoxin useful for their applications in therapeutics as anticancer agent PIERRE FABRE MEDICAMENT (FR) 2014-03-04 US disclosed
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
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
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.