SCHEMBL2076709

SCHEMBL2076709

NCCCN(CCCCN(Cc1ccccc1)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.59
PAX8 Q06710 1/20 0.59
MC4R P32245 9/20 0.46
MC3R P41968 8/20 0.46
MC5R P33032 7/20 0.46
LIMK2 P53671 1/20 0.46
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL759516 0.93 CCR6 (0.66) CCR6PAX8MC4RMC3RMC5R
SCHEMBL7535687 0.92 CCR6 (0.64) CCR6PAX8MC4RMC3RMC5R
SCHEMBL15355992 0.86 CCR6 (0.59) CCR6PAX8TDP1
SCHEMBL10181395 0.86 CCR6 (0.61) CCR6PAX8MC4RMC3RMC5R
SCHEMBL17377997 0.86 CCR6 (0.61) CCR6PAX8MC4RMC3RMC5R
SCHEMBL2584582 0.85 LIMK2 (0.56) MC4RMC3RMC5RLIMK2KMT2A
SCHEMBL4704081 0.84 CCR6 (0.60) CCR6PAX8
SCHEMBL4890818 0.84 CCR6 (0.59) CCR6PAX8MC4RMC3RMC5R
SCHEMBL4705691 0.83 CCR6 (0.62) CCR6PAX8SLC6A2SLC6A3KMT2A
SCHEMBL3795459 0.82 MC4R (0.61) MC4RMC3RMC5RLIMK2

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 6 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
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
CN-1946727-B (Poly) aminoacetamide derivatives of epipodophyllotoxin, their process of preparation and their applications in therapeutics as anticancer agents PF MEDICAMENT 2010-08-11 CN 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
CN-1946727-A (Poly) aminoacetamide derivatives of epipodophyllotoxin their process of preparation and their applications in therapeutics as anticancer agents PF MEDICAMENT (FR) 2007-04-11 CN 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 (2 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 CCR6 2465/4885PAX8 1413/4885MC4R 3929/4885
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 1413/4885MC4R 3929/4885

“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.