SCHEMBL22091990

SCHEMBL22091990

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.51
NOS1 P29475 2/20 0.51
NOS2 P35228 2/20 0.51
P2RY10 O00398 2/20 0.38
PTGS1 P23219 1/20 0.38
SLC7A11 Q9UPY5 1/20 0.38
SLC1A1 P43005 3/20 0.38
GSR P00390 2/20 0.38
SLC1A5 Q15758 1/20 0.38
IDO1 P14902 1/20 0.36
GRIK1 P39086 3/20 0.35
GRIK2 Q13002 3/20 0.35
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC7A5 Q01650 1/20 0.35
GRM8 O00222 1/20 0.35
GRM6 O15303 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
CYP1A2 P05177 1/20 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
SCHEMBL22091993 1.00 NOS3 (0.51) NOS3NOS1NOS2P2RY10PTGS1
SCHEMBL617875 0.87 NOS3 (0.55) NOS3NOS1NOS2PTGS1SLC7A11
SCHEMBL8093094 0.87 NOS3 (0.55) NOS3NOS1NOS2PTGS1SLC7A11
SCHEMBL6535740 0.87 NOS3 (0.55) NOS3NOS1NOS2PTGS1SLC7A11
SCHEMBL31604886 0.83 NOS3 (0.40) NOS3NOS1NOS2GAA
SCHEMBL1316628 0.83 GSR (0.52) NOS3NOS1NOS2P2RY10PTGS1
SCHEMBL890468 0.83 NOS3 (0.51) NOS3NOS1NOS2P2RY10PTGS1
SCHEMBL890472 0.83 NOS3 (0.51) NOS3NOS1NOS2P2RY10PTGS1
SCHEMBL4018310 0.83 GSR (0.52) NOS3NOS1NOS2P2RY10PTGS1
Hydrochloric Acid SCHEMBL21332552 0.82 NOS3 (0.50) NOS3NOS1NOS2P2RY10PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184532-A Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-06-14 CN disclosed
CN-113454058-B Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-03-22 CN disclosed
US-20230096766-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-03-30 US disclosed
EP-3896056-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-10-20 EP disclosed
EP-3896056-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-10-20 EP disclosed
CN-113454058-A Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound comprising the same, and method for producing the same 中外制药株式会社 2021-09-28 CN disclosed
WO-2020122182-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF 中外製薬株式会社 2020-06-18 WO disclosed
WO-2020122182-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF 中外製薬株式会社 2020-06-18 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-20230096766-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF VIP, DNPEP, HM13 NOS3 334/4885NOS1 325/4885NOS2 163/4885

“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.