SCHEMBL7418170

SCHEMBL7418170

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C=[N+]=[N-]

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.59
CTSK P43235 7/20 0.59
CTSB P07858 2/20 0.59
CTSL P07711 1/20 0.59
ACE P12821 1/20 0.57
ATM Q13315 1/20 0.52
AKT1 P31749 1/20 0.52
KLK5 Q9Y337 1/20 0.50
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
APP P05067 1/20 0.48
REN P00797 1/20 0.48
EPHX2 P34913 1/20 0.47

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
SCHEMBL5966540 1.00 CTSS (0.59) CTSSCTSKCTSBCTSLACE
SCHEMBL5966545 1.00 CTSS (0.59) CTSSCTSKCTSBCTSLACE
SCHEMBL13537631 0.91 BCL2 (0.58) CTSSCTSKCTSBCTSLACE
SCHEMBL18607778 0.88 PPARG (0.49) CTSSCTSKCTSBCTSLACE
SCHEMBL13537645 0.88 CTSS (0.59) CTSSCTSKCTSBCTSLACE
SCHEMBL3431290 0.87 ABCB1 (0.52) CTSSCTSKCTSBCTSLACE
SCHEMBL13537925 0.86 PPARA (0.65) CTSSCTSKCTSBCTSLACE
SCHEMBL5115955 0.85 ITGB3 (0.47) CTSSCTSKCTSBCTSLACE
SCHEMBL5115948 0.85 ITGB3 (0.47) CTSSCTSKCTSBCTSLACE
SCHEMBL5110052 0.85 ITGB3 (0.47) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593073-B2 Method for the preparation of diazoalkanes BAKHU LIMITED (GB) 2017-03-14 US disclosed
US-20150038687-A1 METHOD FOR THE PREPARATION OF DIAZOALKANES BAKHU LIMITED (GB) 2015-02-05 US disclosed
US-5414013-A Enzyme inhibitors E. R. SQUIBB & SONS, INC. (US) 1995-05-09 US disclosed
US-5414017-A Cardiovascular agents E. R. SQUIBB & SONS, INC. (US) 1995-05-09 US disclosed
US-5223516-A Endopeptidase inhibitors E. R. SQUIBB & SONS, INC. (US) 1993-06-29 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-20150038687-A1 METHOD FOR THE PREPARATION OF DIAZOALKANES NIT2, DNTT, NAT1 CTSS 3735/4885CTSK 1905/4885CTSB 3420/4885

“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.