SCHEMBL5061196

SCHEMBL5061196

CC(C)(C)OC(=O)CCCSC[C@H](N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.49
ARG1 P05089 1/20 0.45
ARG2 P78540 1/20 0.45
NOS1 P29475 2/20 0.44
NOS3 P29474 1/20 0.44
BHMT Q93088 6/20 0.40
SLC7A5 Q01650 1/20 0.37
KIF11 P52732 2/20 0.37
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL5061193 1.00 NOS2 (0.49) NOS2ARG1ARG2NOS1NOS3
SCHEMBL30983358 0.81 ARG1 (0.42) NOS2ARG1ARG2NOS1NOS3
SCHEMBL7363488 0.81 ARG1 (0.42) NOS2ARG1ARG2NOS1NOS3
SCHEMBL12463782 0.79 GSR (0.46) NOS2ARG1ARG2NOS1NOS3
SCHEMBL29891046 0.79 GSR (0.46) NOS2ARG1ARG2NOS1NOS3
SCHEMBL2218978 0.79 GSR (0.46) NOS2ARG1ARG2NOS1NOS3
SCHEMBL7285445 0.78 MEN1 (0.56) NOS2ARG1ARG2NOS1NOS3
SCHEMBL3444337 0.78 BHMT (0.55) NOS2NOS1NOS3BHMT
SCHEMBL3444339 0.78 BHMT (0.55) NOS2NOS1NOS3BHMT
SCHEMBL825904 0.78 GSR (0.48) NOS2ARG1ARG2NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004290-A1 Anti-Cancer Agents THE UNIVERSITY OF QUEENSLAND (AU) 2008-01-03 US disclosed
EP-1694640-A4 ANTI-CANCER AGENTS UNIV QUEENSLAND (AU) 2007-01-10 EP disclosed
EP-1694640-A1 ANTI-CANCER AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2006-08-30 EP disclosed
WO-2005051901-A1 ANTI-CANCER AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2005-06-09 WO 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-20080004290-A1 Anti-Cancer Agents TP53, TOP2A, MCL1 NOS2 2019/4885ARG1 1669/4885ARG2 1236/4885

“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.