SCHEMBL5551983

SCHEMBL5551983

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)CC1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.54
CTSK P43235 3/20 0.54
CTSL P07711 2/20 0.54
CTSB P07858 1/20 0.54
ACE P12821 1/20 0.50
YAP1 P46937 2/20 0.49
SCN9A Q15858 3/20 0.49
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
AKT1 P31749 1/20 0.48
ATM Q13315 1/20 0.48
KMT2A Q03164 1/20 0.48
ITGAV P06756 1/20 0.48

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
SCHEMBL5556499 0.86 CTSS (0.56) CTSSCTSKCTSLCTSBACE
SCHEMBL464398 0.85 CTSS (0.63) CTSSCTSKCTSLCTSBAKT1
SCHEMBL14775736 0.85 CTSS (0.63) CTSSCTSKCTSLCTSBAKT1
SCHEMBL5551719 0.81 CTSK (0.48) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL27733229 0.81 CTSS (0.65) CTSSCTSKCTSLCTSBACE
SCHEMBL27753728 0.81 CTSS (0.65) CTSSCTSKCTSLCTSBACE
SCHEMBL27753734 0.80 CTSS (0.56) CTSSCTSKCTSLCTSBACE
SCHEMBL27733231 0.80 CTSS (0.56) CTSSCTSKCTSLCTSBACE
SCHEMBL28778560 0.80 CTSS (0.56) CTSSCTSKCTSLCTSBACE
SCHEMBL9383811 0.80 CTSS (0.58) CTSSCTSKCTSLCTSBACE

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
US-20070014721-A1 Hydrazide conjugates as imaging agents LANTHEUS MEDICAL IMAGING, INC. 2007-01-18 US disclosed
US-20070014721-A1 Hydrazide conjugates as imaging agents LANTHEUS MEDICAL IMAGING, INC. 2007-01-18 US disclosed
US-20070014721-A1 Hydrazide conjugates as imaging agents LANTHEUS MEDICAL IMAGING, INC. 2007-01-18 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-20070014721-A1 Hydrazide conjugates as imaging agents CA14, CA13, CA1 CTSS 1532/4885CTSK 1070/4885CTSL 2354/4885

“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.