SCHEMBL843946

SCHEMBL843946

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N(N)c1cccc(I)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.52
CTSS P25774 7/20 0.51
CTSK P43235 6/20 0.51
CTSB P07858 4/20 0.51
CTSL P07711 2/20 0.51
REN P00797 2/20 0.48
KLK5 Q9Y337 1/20 0.46
AKT1 P31749 1/20 0.46
ATM Q13315 1/20 0.45
EPHX2 P34913 1/20 0.44
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
APP P05067 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA2B P08514 1/20 0.42
ITGB5 P18084 1/20 0.42

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
SCHEMBL844818 0.89 CTSS (0.54) ACECTSSCTSKCTSBCTSL
SCHEMBL4654386 0.80 CTSS (0.61) ACECTSSCTSKCTSBCTSL
SCHEMBL4654379 0.80 CTSS (0.61) ACECTSSCTSKCTSBCTSL
SCHEMBL1764798 0.80 CTSS (0.64) ACECTSSCTSKCTSBCTSL
SCHEMBL6162474 0.80 CTSS (0.64) ACECTSSCTSKCTSBCTSL
SCHEMBL844678 0.80 TRPA1 (0.40) CTSSCTSKKLK5AKT1ATM
SCHEMBL18057248 0.79 CTSS (0.60) ACECTSSCTSKCTSBCTSL
SCHEMBL1854581 0.79 ACE (0.64) ACECTSSCTSKCTSBCTSL
SCHEMBL14940466 0.79 ACE (0.64) ACECTSSCTSKCTSBCTSL
SCHEMBL19969174 0.79 CTSS (0.60) ACECTSSCTSKCTSBCTSL

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
EP-2188276-B1 SUBSTITUTED HYDANTOINS HOFFMANN LA ROCHE (CH) 2012-03-28 EP disclosed
US-7557221-B2 Substituted hydantoins HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-20090048452-A1 (R)-5-[4-(2-Hydroxy-ethoxy)-phenyl]-3-[(S)-1-(6-iodo-1H-benzoimidazol-2-yl)-2-phenyl-ethyl]-imidazolidine-2,4-dione; map kinase inhibitors; antihyperproliferative agents CHEN SHAOQING 2009-02-19 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-20090048452-A1 (R)-5-[4-(2-Hydroxy-ethoxy)-phenyl]-3-[(S)-1-(6-iodo-1H-benzoimidazol-2-yl)-2-phenyl-ethyl]-imidazolidine-2,4-dione; map kinase inhibitors; antihyperproliferative agents MAPK1, MAP3K2, MAP3K1 ACE 2108/4885CTSS 4429/4885CTSK 3289/4885

“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.