SCHEMBL3870531

SCHEMBL3870531

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)OC1CC(=O)NC1=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
CTSS P25774 3/20 0.52
CTSK P43235 3/20 0.52
CTSL P07711 2/20 0.52
CTSB P07858 1/20 0.52
CCKAR P32238 1/20 0.51
CCKBR P32239 1/20 0.51
ACE P12821 2/20 0.50
KLK5 Q9Y337 2/20 0.49
AKT1 P31749 1/20 0.48
IDO1 P14902 1/20 0.48
SCN9A Q15858 2/20 0.47
ATM Q13315 1/20 0.46
KLK7 P49862 2/20 0.46
KMT2A Q03164 1/20 0.46
APP P05067 1/20 0.46

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
SCHEMBL7705336 1.00 EPHX2 (0.53) EPHX2CTSSCTSKCTSLCTSB
SCHEMBL10629248 0.91 CTSS (0.52) EPHX2CTSSCTSKCTSLCTSB
SCHEMBL9797934 0.87 CTSL (0.57) CTSSCTSKCTSLCTSBIDO1
SCHEMBL10633866 0.85 CTSL (0.50) CTSSCTSKCTSLCTSBACE
SCHEMBL6454981 0.85 CTSL (0.50) CTSSCTSKCTSLCTSBACE
SCHEMBL8695509 0.83 IDO1 (0.41) CTSSCTSKCTSLCCKARCCKBR
SCHEMBL11030896 0.82 ACE (0.59) EPHX2CTSSCTSKCTSLCTSB
SCHEMBL27616185 0.82 ACE (0.59) EPHX2CTSSCTSKCTSLCTSB
SCHEMBL8577285 0.81 CTSL (0.46) CTSSCTSKCTSLCTSBIDO1
SCHEMBL10631067 0.81 CTSL (0.46) CTSSCTSKCTSLCTSBIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
US-20040186118-A1 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-09-23 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-20040186118-A1 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents DCK, PDPK1, DTYMK EPHX2 2608/4885CTSS 1908/4885CTSK 288/4885

“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.