SCHEMBL415520

SCHEMBL415520

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

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.64
PAX8 Q06710 1/20 0.64
HTT P42858 1/20 0.56
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
CPB1 P15086 1/20 0.46
CPB2 Q96IY4 1/20 0.46
ANPEP P15144 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A1 P43005 1/20 0.46
DPP8 Q6V1X1 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
FOLH1 Q04609 2/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL2076254 0.99 CCR6 (0.62) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL417675 0.98 CCR6 (0.60) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL2076561 0.98 CCR6 (0.60) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL416941 0.98 CCR6 (0.64) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL4704081 0.96 CCR6 (0.60) CCR6PAX8HTTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL9501043 0.96 CCR6 (0.62) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL2075425 0.95 CCR6 (0.60) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL411758 0.95 CCR6 (0.60) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL3760231 0.94 CCR6 (0.57) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL3770984 0.90 HTT (0.59) 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 20 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 claimed
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-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-20150209440-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2015-07-30 US disclosed
US-20150209440-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2015-07-30 US disclosed
WO-2015057847-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC. (US) 2015-04-23 WO disclosed
US-20140296322-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2014-10-02 US disclosed
US-20140296322-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2014-10-02 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-20140037573-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC (US) 2014-02-06 US disclosed
US-20140037573-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC (US) 2014-02-06 US disclosed
WO-2013126564-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC. (US) 2013-08-29 WO disclosed
US-20120302622-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC. (US) 2012-11-29 US disclosed
US-20120302622-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC. (US) 2012-11-29 US disclosed
US-20120225129-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC. (US) 2012-09-06 US disclosed
US-20120225129-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC. (US) 2012-09-06 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-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
US-7846926-B2 (Poly)aminoacetamide derivatives of epipodophyllotoxin their process of preparation and their applications in therapeutics as anticancer agents PIERRE FABRE MEDICAMENT (FR) 2010-12-07 US disclosed
US-20090170843-A1 (Poly) aminoacetamide derivatives of epipodophyllotoxin their process of preparation and their applications in therapeutics as anticancer agents PIERRE FABRE MEDICAMENT (FR) 2009-07-02 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 (8 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-20140296322-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CD44, DIS3, POLN CCR6 470/4885PAX8 2123/4885HTT 189/4885
US-20110053967-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
US-20140037573-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS SYNCRIP, EXOSC5, EXOSC9 CCR6 667/4885PAX8 2608/4885HTT 156/4885
US-20120302622-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS SYNCRIP, EXOSC5, EXOSC9 CCR6 667/4885PAX8 2608/4885HTT 156/4885
US-20150209440-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CD44, DIS3, POLN CCR6 470/4885PAX8 2123/4885HTT 189/4885
US-20090170843-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
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
US-20120225129-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS SYNCRIP, EXOSC5, EXOSC9 CCR6 667/4885PAX8 2608/4885HTT 156/4885

“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.