SCHEMBL13021079

SCHEMBL13021079

CC(=O)CN(Cc1ccccc1)C(=O)CN(CC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.50
CTSB P07858 2/20 0.50
CTSS P25774 2/20 0.50
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
AKT1 P31749 3/20 0.43
ALDH1A1 P00352 1/20 0.40
ESR1 P03372 1/20 0.39
POLB P06746 1/20 0.39
NR4A1 P22736 1/20 0.39
BACE1 P56817 1/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL13021069 1.00 CTSL (0.50) CTSLCTSBCTSSHDAC3HDAC1
SCHEMBL13021076 0.95 CTSL (0.54) CTSLCTSBCTSSHDAC3HDAC1
SCHEMBL14281304 0.90 CTSL (0.51) CTSLCTSBCTSSHDAC3HDAC1
SCHEMBL13021072 0.90 CTSL (0.51) CTSLCTSBCTSSHDAC3HDAC1
SCHEMBL13021085 0.89 CTSL (0.49) CTSLCTSBCTSSHDAC3HDAC1
SCHEMBL2834319 0.87 HDAC3 (0.55) CTSLCTSBCTSSHDAC3HDAC1
SCHEMBL3076946 0.81 HDAC6 (0.38) HDAC3HDAC1HDAC2NCOR2
SCHEMBL12894955 0.79 HDAC3 (0.51) CTSLCTSBCTSSHDAC3HDAC1
SCHEMBL1052780 0.78 HDAC3 (0.53) CTSLCTSBCTSSHDAC3HDAC1
SCHEMBL7594928 0.78 CTSL (0.58) CTSLCTSBCTSSHDAC3HDAC1

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-7858648-B2 Nanotube complexes are water soluble, nontoxic; use in delivering biologicals such as DNA for gene therapy, DNA vaccines; amine salts derived from diethylenetriaminepentaacetic acid-modified nanotubes with anion such as DNA CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-12-28 US disclosed
US-20080076816-A1 Nanotube complexes are water soluble, nontoxic; use in delivering biologicals such as DNA for gene therapy, DNA vaccines; amine salts derived from diethylenetriaminepentaacetic acid-modified nanotubes with anion such as DNA THE UNIVERSITY OF MANCHESTER (GB) 2008-03-27 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-20080076816-A1 Nanotube complexes are water soluble, nontoxic; use in delivering biologicals such as DNA for gene therapy, DNA vaccines; amine salts derived from diethylenetriaminepentaacetic acid-modified nanotubes with anion such as DNA DNTT, EEA1, DCTN1 CTSL 4179/4885CTSB 2658/4885CTSS 3137/4885

“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.