SCHEMBL13435232

SCHEMBL13435232

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.40
CYP2C19 P33261 1/20 0.34
MME P08473 2/20 0.34
ACE P12821 1/20 0.34
POLB P06746 1/20 0.33
BLM P54132 1/20 0.33
ATM Q13315 1/20 0.33
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
NOS3 P29474 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRIK1 P39086 1/20 0.31
SLC7A5 Q01650 1/20 0.31

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
SCHEMBL13525040 1.00 CPB2 (0.40) CPB2CYP2C19MMEACEPOLB
SCHEMBL2313955 0.83 NOS2 (0.47) CPB2NOS1NOS2NOS3SLC1A3
SCHEMBL8498221 0.83 NOS2 (0.47) CPB2NOS1NOS2NOS3SLC1A3
SCHEMBL360990 0.83 NOS2 (0.47) CPB2NOS1NOS2NOS3SLC1A3
Hydrochloric Acid SCHEMBL6837838 0.81 NOS2 (0.46) CPB2BLMNOS1NOS2NOS3
SCHEMBL28090084 0.81 NOS2 (0.46) CPB2NOS1NOS2NOS3SLC1A3
SCHEMBL14962367 0.81 NOS1 (0.31) NOS1NOS2NOS3SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL6837836 0.81 NOS2 (0.46) CPB2BLMNOS1NOS2NOS3
SCHEMBL12662806 0.81 NOS1 (0.31) NOS1NOS2NOS3SLC1A3SLC1A2
SCHEMBL14227023 0.79 NOS2 (0.38) CYP2C19BLMNOS1NOS2NOS3

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-20100069607-A1 METHOD OF COVALENTLY LINKING A CARBOHYDRATE OR POLYALKYLENE OXIDE TO A PEPTIDE, PRECURSORS FOR USE IN THE METHOD AND RESULTANT PRODUCTS UCL BUSINESS PLC (GB) 2010-03-18 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-20100069607-A1 METHOD OF COVALENTLY LINKING A CARBOHYDRATE OR POLYALKYLENE OXIDE TO A PEPTIDE, PRECURSORS FOR USE IN THE METHOD AND RESULTANT PRODUCTS MSR1, C9, ADM2 CPB2 292/4885CYP2C19 3721/4885MME 837/4885

“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.