SCHEMBL22280107

SCHEMBL22280107

CC(C)(CN)SSCC(N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.42
NOS2 P35228 3/20 0.40
NOS1 P29475 2/20 0.40
NOS3 P29474 1/20 0.40
GRIK1 P39086 2/20 0.40
ARG1 P05089 1/20 0.37
ARG2 P78540 1/20 0.37
SLC7A5 Q01650 1/20 0.36
GRIK2 Q13002 1/20 0.36
BHMT Q93088 3/20 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
SCHEMBL29888727 1.00 KIF11 (0.42) KIF11NOS2NOS1NOS3GRIK1
SCHEMBL29888764 1.00 KIF11 (0.42) KIF11NOS2NOS1NOS3GRIK1
SCHEMBL12438549 0.82 KIF11 (0.46) KIF11NOS2NOS1NOS3GRIK1
SCHEMBL222325 0.82 KIF11 (0.46) KIF11NOS2NOS1NOS3GRIK1
SCHEMBL441462 0.82 KIF11 (0.46) KIF11NOS2NOS1NOS3GRIK1
Water SCHEMBL6741664 0.81 KIF11 (0.45) KIF11NOS2NOS1NOS3GRIK1
Water SCHEMBL6741667 0.81 KIF11 (0.45) KIF11NOS2NOS1NOS3GRIK1
Hydrochloric Acid SCHEMBL4744896 0.81 KIF11 (0.45) KIF11NOS2NOS1NOS3GRIK1
SCHEMBL18214469 0.78 KIF11 (0.46) KIF11NOS2NOS1NOS3GRIK1
SCHEMBL11801814 0.78 KIF11 (0.46) KIF11NOS2NOS1NOS3GRIK1

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-20220089646-A1 A CYCLIC PEPTIDE THE UNIVERSITY OF QUEENSLAND (AU) 2022-03-24 US disclosed
WO-2020150788-A1 A CYCLIC PEPTIDE THE UNIVERSITY OF QUEENSLAND (AU) 2020-07-30 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-20220089646-A1 A CYCLIC PEPTIDE VIP, CALCA, CALCB KIF11 3428/4885NOS2 1120/4885NOS1 1411/4885

“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.