SCHEMBL4193758

SCHEMBL4193758

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.48
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.46
ATM Q13315 2/20 0.46
KMT2A Q03164 3/20 0.46
ACE P12821 1/20 0.46
MEN1 O00255 2/20 0.45
LMNA P02545 1/20 0.45
CTSS P25774 5/20 0.45
CTSL P07711 3/20 0.45
CTSB P07858 3/20 0.45
CTSK P43235 2/20 0.45
APP P05067 1/20 0.44
SYK P43405 1/20 0.44
KLK5 Q9Y337 1/20 0.43

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
SCHEMBL4187135 0.91 KLK5 (0.49) AKT1PPARAPPARGATMKMT2A
SCHEMBL27603663 0.90 CTSS (0.47) PPARAPPARGKMT2AMEN1LMNA
SCHEMBL26926114 0.87 SYK (0.47) AKT1PPARAPPARGATMKMT2A
SCHEMBL23042932 0.87 PPARA (0.49) AKT1PPARAPPARGKMT2AACE
SCHEMBL3556150 0.87 ACE (0.56) AKT1PPARAPPARGATMKMT2A
SCHEMBL23040219 0.87 SYK (0.47) AKT1PPARAPPARGATMKMT2A
SCHEMBL3559433 0.87 ACE (0.56) AKT1PPARAPPARGATMKMT2A
SCHEMBL23040218 0.87 SYK (0.47) AKT1PPARAPPARGATMKMT2A
SCHEMBL28750692 0.85 CTSK (0.50) PPARAPPARGACECTSSCTSL
SCHEMBL28750690 0.85 CTSK (0.50) PPARAPPARGACECTSSCTSL

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-20090069302-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 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-20090069302-A1 CHEMICAL COMPOUNDS TBXA2R, PDE4D, PDE4A AKT1 1709/4885PPARA 697/4885PPARG 650/4885

“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.