SCHEMBL844818

SCHEMBL844818

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N(N)c1ccc(I)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.54
CTSK P43235 5/20 0.54
CTSB P07858 2/20 0.54
CTSL P07711 1/20 0.54
ACE P12821 1/20 0.52
REN P00797 2/20 0.48
AKT1 P31749 1/20 0.48
ATM Q13315 1/20 0.47
PTPN1 P18031 3/20 0.46
KLK5 Q9Y337 1/20 0.46
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
APP P05067 1/20 0.45
PTPRA P18433 1/20 0.45

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
SCHEMBL843946 0.89 ACE (0.52) CTSSCTSKCTSBCTSLACE
SCHEMBL3644291 0.84 FPR2 (0.49) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL4654386 0.83 CTSS (0.61) CTSSCTSKCTSBCTSLACE
SCHEMBL4654379 0.83 CTSS (0.61) CTSSCTSKCTSBCTSLACE
SCHEMBL1764798 0.82 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL6162474 0.82 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL19969174 0.79 CTSS (0.60) CTSSCTSKCTSBCTSLACE
SCHEMBL18057248 0.79 CTSS (0.60) CTSSCTSKCTSBCTSLACE
Dl-Phenylalanine SCHEMBL28132478 0.79 ACE (0.61) CTSSCTSKCTSBCTSLACE
SCHEMBL1971863 0.79 CTSS (0.57) CTSSCTSKCTSBCTSLACE

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 CTSS 4429/4885CTSK 3289/4885CTSB 4199/4885

“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.