SCHEMBL6854769

SCHEMBL6854769

CC(C)(C)OC(=O)NC(COc1cncc([Sn](C)(C)C)c1)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
CYP3A4 P08684 5/20 0.45
APP P05067 4/20 0.43
ACE P12821 1/20 0.43
CTSS P25774 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
KLK5 Q9Y337 1/20 0.41
ALDH1A1 P00352 1/20 0.39
AKT1 P31749 1/20 0.39
SYK P43405 1/20 0.39

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
SCHEMBL6854766 1.00 ATM (0.51) ATMCYP3A4APPACECTSS
SCHEMBL14030166 0.88 ATM (0.53) ATMCYP3A4APPACECTSS
SCHEMBL14068432 0.87 ATM (0.54) ATMCYP3A4APPACECTSS
SCHEMBL6857744 0.86 ATM (0.53) ATMCYP3A4APPACECTSS
SCHEMBL14004830 0.86 ATM (0.53) ATMCYP3A4APPACECTSS
SCHEMBL6857746 0.86 ATM (0.53) ATMCYP3A4APPACECTSS
SCHEMBL6849776 0.82 HDAC3 (0.43) ATMCYP3A4AKT1
SCHEMBL30639552 0.82 ATM (0.65) ATMCYP3A4APPACECTSS
SCHEMBL6855278 0.81 TRPA1 (0.36)
SCHEMBL6855273 0.81 TRPA1 (0.36)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 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 (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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 ATM 353/4885CYP3A4 3620/4885APP 4630/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 ATM 353/4885CYP3A4 3620/4885APP 4630/4885

“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.