SCHEMBL461995

SCHEMBL461995

NC(CCCCNC(=O)OCc1ccccc1)(CCCC(=O)OCc1ccccc1)N(CCCCN(CC(=O)O)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
CCR6 P51684 1/20 0.43
PAX8 Q06710 1/20 0.43
TGM2 P21980 1/20 0.41
FOLH1 Q04609 5/20 0.41
TPSAB1 Q15661 3/20 0.40
TPSD1 Q9BZJ3 3/20 0.40
TPSG1 Q9NRR2 3/20 0.40
PLG P00747 1/20 0.40
ELANE P08246 1/20 0.40
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CASP1 P29466 1/20 0.38
ANPEP P15144 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL415526 0.83 CCR6 (0.60) HTTCCR6PAX8TGM2FOLH1
SCHEMBL461996 0.82 CCR6 (0.48) HTTCCR6PAX8TGM2FOLH1
SCHEMBL413798 0.82 CCR6 (0.59) HTTCCR6PAX8TGM2FOLH1
SCHEMBL10025427 0.81 CCR6 (0.58) HTTCCR6PAX8TGM2FOLH1
SCHEMBL413768 0.81 CCR6 (0.64) HTTCCR6PAX8TGM2FOLH1
SCHEMBL9699019 0.81 HTT (0.63) HTTCCR6PAX8TGM2FOLH1
SCHEMBL413839 0.80 CCR6 (0.62) HTTCCR6PAX8TGM2FOLH1
SCHEMBL13884597 0.79 CCR6 (0.61) HTTCCR6PAX8TGM2FOLH1
SCHEMBL9766156 0.78 HTT (0.69) HTTCCR6PAX8TGM2FOLH1
SCHEMBL8496676 0.76 HTT (0.47) HTTTGM2FOLH1KEAP1NFE2L2

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 1 patent. 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 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 HTT 2168/4885CCR6 3824/4885PAX8 2180/4885

“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.