SCHEMBL13410552

SCHEMBL13410552

CC(=O)C(=O)CSCC(N)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.51
NOS1 P29475 3/20 0.51
NOS3 P29474 2/20 0.51
ARG1 P05089 1/20 0.48
ARG2 P78540 1/20 0.48
BHMT Q93088 4/20 0.40
SLC7A5 Q01650 1/20 0.40
GRIK1 P39086 1/20 0.39
BHMT2 Q9H2M3 1/20 0.39
KIF11 P52732 4/20 0.39
PTGS1 P23219 1/20 0.38
SLC7A11 Q9UPY5 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL4992360 0.85 NOS2 (0.53) NOS2NOS1NOS3ARG1ARG2
SCHEMBL4992347 0.85 NOS2 (0.53) NOS2NOS1NOS3ARG1ARG2
Carbocysteine SCHEMBL19614546 0.83 BHMT (0.57) NOS2NOS1NOS3ARG1ARG2
Carbocysteine SCHEMBL19614507 0.83 BHMT (0.57) NOS2NOS1NOS3ARG1ARG2
Carbocysteine SCHEMBL19614506 0.83 BHMT (0.57) NOS2NOS1NOS3ARG1ARG2
Carbocysteine SCHEMBL15545269 0.83 BHMT (0.57) NOS2NOS1NOS3ARG1ARG2
SCHEMBL4677572 0.83 ARG1 (0.52) NOS2NOS1NOS3ARG1ARG2
Carbocysteine SCHEMBL19614544 0.83 BHMT (0.57) NOS2NOS1NOS3ARG1ARG2
SCHEMBL10187369 0.82 NOS2 (0.50) NOS2NOS1NOS3ARG1ARG2
Carbocysteine SCHEMBL19614528 0.81 BHMT (0.55) NOS2NOS1NOS3ARG1ARG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217265-B1 MODIFIED INSULIN POLYPEPTIDES AND THEIR USES AMBRX INC (US) 2017-05-10 EP disclosed
US-20100098630-A1 Phenazine and Quinoxaline Substituted Amino Acids and Polypeptides AMBRX, INC. (US) 2010-04-22 US disclosed
US-20100098630-A1 Phenazine and Quinoxaline Substituted Amino Acids and Polypeptides AMBRX, INC. (US) 2010-04-22 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-20100098630-A1 Phenazine and Quinoxaline Substituted Amino Acids and Polypeptides PTMS, NPEPPS, DNPEP NOS2 386/4885NOS1 955/4885NOS3 624/4885

“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.