SCHEMBL16728136

SCHEMBL16728136

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.33
NOS1 P29475 3/20 0.33
NOS3 P29474 2/20 0.33
SLC7A5 Q01650 1/20 0.32

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
SCHEMBL13287266 0.84 NOS2 (0.38) NOS2NOS1NOS3SLC7A5
SCHEMBL16659160 0.84 NOS2 (0.38) NOS2NOS1NOS3SLC7A5
SCHEMBL8101166 0.84 NOS2 (0.38) NOS2NOS1NOS3SLC7A5
SCHEMBL14227023 0.84 NOS2 (0.38) NOS2NOS1NOS3SLC7A5
SCHEMBL15539708 0.83 SLC7A5 (0.46) NOS2NOS1NOS3SLC7A5
SCHEMBL11680891 0.83 SLC7A5 (0.46) NOS2NOS1NOS3SLC7A5
SCHEMBL17324229 0.81 GABRP (0.31) SLC7A5
SCHEMBL16728149 0.79 NOS2 (0.39) NOS2NOS1NOS3SLC7A5
SCHEMBL18314370 0.78 NOS2 (0.33) NOS2NOS1NOS3SLC7A5
SCHEMBL16724765 0.78 CYP3A4 (0.30)

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-9376700-B2 Methods of modifying N-termini of a peptide or protein using transferases THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-06-28 US disclosed
US-20150140605-A1 ONE STEP N-TERMINAL TAGGING OF PROTEINS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2015-05-21 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-20150140605-A1 ONE STEP N-TERMINAL TAGGING OF PROTEINS TRMT1, RNGTT, NSUN3 NOS2 3584/4885NOS1 3133/4885NOS3 3583/4885

“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.