SCHEMBL5408469

SCHEMBL5408469

CC(C)NCCNC(=O)CC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
CYP3A4 P08684 5/20 0.50
ACE P12821 1/20 0.48
CTSS P25774 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
APP P05067 3/20 0.47
AKT1 P31749 1/20 0.45
SYK P43405 1/20 0.44
KLK5 Q9Y337 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
SCHEMBL5914356 0.85 ATM (0.55) ATMCYP3A4ACECTSSCTSL
SCHEMBL5414233 0.85 ATM (0.55) ATMCYP3A4ACECTSSCTSL
SCHEMBL5416328 0.84 ATM (0.51) ATMCYP3A4ACECTSSCTSL
SCHEMBL6249227 0.84 ATM (0.51) ATMCYP3A4ACECTSSCTSL
SCHEMBL5408453 0.84 ATM (0.51) ATMCYP3A4ACECTSSCTSL
SCHEMBL5914377 0.83 ATM (0.53) ATMCYP3A4ACECTSSCTSL
SCHEMBL5412208 0.83 ATM (0.53) ATMCYP3A4ACECTSSCTSL
SCHEMBL5744538 0.81 ATM (0.67) ATMCYP3A4ACECTSSCTSL
SCHEMBL5411660 0.81 ATM (0.67) ATMCYP3A4ACECTSSCTSL
SCHEMBL5411669 0.81 ATM (0.67) ATMCYP3A4ACECTSSCTSL

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-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 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 (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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 ATM 2145/4885CYP3A4 1874/4885ACE 2817/4885

“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.