SCHEMBL413800

SCHEMBL413800

O=C(O)CN(CCCNCCCC(NC(=O)C(=O)OCc1ccccc1)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.52
PAX8 Q06710 1/20 0.52
HTT P42858 2/20 0.38
REN P00797 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
FOLH1 Q04609 6/20 0.35
SIRT5 Q9NXA8 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL413898 0.93 CCR6 (0.51) CCR6PAX8HTTRENSMN1; SMN2
SCHEMBL416891 0.90 CCR6 (0.48) CCR6PAX8RENSMN1; SMN2
SCHEMBL418499 0.81 CCR6 (0.50) CCR6PAX8RENSMN1; SMN2
SCHEMBL13884597 0.78 CCR6 (0.61) CCR6PAX8HTTRENSMN1; SMN2
SCHEMBL413799 0.78 CCR6 (0.50) CCR6PAX8HTT
SCHEMBL413897 0.76 CCR6 (0.53) CCR6PAX8HTT
SCHEMBL461994 0.76 CCR6 (0.55) CCR6PAX8FOLH1SIRT5
SCHEMBL9699019 0.76 HTT (0.63) CCR6PAX8HTTSMN1; SMN2FOLH1
SCHEMBL413768 0.74 CCR6 (0.64) CCR6PAX8HTTSMN1; SMN2FOLH1
SCHEMBL7762084 0.73 SMN1; SMN2 (0.40) SMN1; SMN2FOLH1

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 2 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-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.