SCHEMBL6855428

SCHEMBL6855428

CC(C)(C)OC(=O)NC(COCc1ccccc1)COc1cncc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.50
CTSS P25774 2/20 0.48
PPARG P37231 1/20 0.46
KLK7 P49862 2/20 0.43
KLK5 Q9Y337 2/20 0.43
SYK P43405 1/20 0.43
ATM Q13315 1/20 0.43
AAK1 Q2M2I8 5/20 0.43
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
CYP3A4 P08684 3/20 0.39
RAB9A P51151 1/20 0.39
AKT1 P31749 2/20 0.39
ROCK2 O75116 1/20 0.39
RPS6KA5 O75582 1/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CLK2 P49760 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
SCHEMBL6855423 1.00 PPARA (0.50) PPARACTSSPPARGKLK7KLK5
SCHEMBL6857744 0.89 ATM (0.53) CTSSATMAAK1CTSBCTSK
SCHEMBL6857746 0.89 ATM (0.53) CTSSATMAAK1CTSBCTSK
SCHEMBL4745113 0.87 CTSS (0.48) PPARACTSSPPARGKLK7KLK5
SCHEMBL4745115 0.87 CTSS (0.48) PPARACTSSPPARGKLK7KLK5
SCHEMBL30491809 0.85 PPARA (0.50) PPARACTSSPPARGKLK7KLK5
SCHEMBL28995644 0.85 PPARA (0.50) PPARACTSSPPARGKLK7KLK5
SCHEMBL25807391 0.85 PPARA (0.50) PPARACTSSPPARGKLK7KLK5
SCHEMBL6855122 0.82 AAK1 (0.47) SYKAAK1CYP3A4
SCHEMBL6854987 0.82 AAK1 (0.47) SYKAAK1CYP3A4

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 PPARA 4758/4885CTSS 3443/4885PPARG 4599/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 PPARA 4758/4885CTSS 3443/4885PPARG 4599/4885

“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.