SCHEMBL6835164

SCHEMBL6835164

C[C@](N)(CSSC[C@H](N)C(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.41
NOS2 P35228 6/20 0.40
NOS1 P29475 5/20 0.40
NOS3 P29474 2/20 0.39
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36
SLC7A5 Q01650 1/20 0.35
GGT1 P19440 1/20 0.35
GRIK1 P39086 1/20 0.35
BHMT Q93088 1/20 0.34

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
SCHEMBL1667369 1.00 KIF11 (0.41) KIF11NOS2NOS1NOS3ARG1
SCHEMBL3703131 1.00 KIF11 (0.41) KIF11NOS2NOS1NOS3ARG1
SCHEMBL14956142 0.84 NOS2 (0.46) KIF11NOS2NOS1NOS3ARG1
SCHEMBL6517552 0.84 NOS2 (0.46) KIF11NOS2NOS1NOS3ARG1
SCHEMBL4954761 0.84 NOS2 (0.46) KIF11NOS2NOS1NOS3ARG1
SCHEMBL195089 0.84 NOS2 (0.46) KIF11NOS2NOS1NOS3ARG1
SCHEMBL5517028 0.82 NOS2 (0.48) NOS2NOS1NOS3ARG1ARG2
SCHEMBL5518580 0.82 NOS2 (0.48) NOS2NOS1NOS3ARG1ARG2
SCHEMBL440968 0.82 NOS2 (0.48) NOS2NOS1NOS3ARG1ARG2
SCHEMBL8746612 0.82 NOS2 (0.45) KIF11NOS2NOS1NOS3ARG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040018561-A1 Peptide compounds and their use as protease substrates PHARMACIA CORPORATION 2004-01-29 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-20040018561-A1 Peptide compounds and their use as protease substrates MMP3, MMP25, MMP11 KIF11 3124/4885NOS2 3024/4885NOS1 2502/4885

“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.