SCHEMBL417432

SCHEMBL417432

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.57
PAX8 Q06710 1/20 0.57
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TGM2 P21980 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL10058216 0.99 CCR6 (0.58) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL416889 0.98 CCR6 (0.54) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL415502 0.97 CCR6 (0.55) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL9773971 0.90 CCR6 (0.58) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL10025426 0.90 CCR6 (0.60) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL10025433 0.89 CCR6 (0.61) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL415507 0.88 CCR6 (0.61) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL413839 0.88 CCR6 (0.62) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL414180 0.88 CCR6 (0.60) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL415194 0.88 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.