SCHEMBL22091997

SCHEMBL22091997

CNC(=O)c1ccc(CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.48
TNF P01375 1/20 0.46
MDM4 O15151 3/20 0.45
TP53 P04637 3/20 0.45
TLR2 O60603 2/20 0.44
CASP3 P42574 1/20 0.43
PTPN1 P18031 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL22091996 1.00 MDM2 (0.48) MDM2TNFMDM4TP53TLR2
SCHEMBL22092014 1.00 MDM2 (0.48) MDM2TNFMDM4TP53TLR2
SCHEMBL29633880 0.94 MDM2 (0.47) MDM2TNFMDM4TP53TLR2
SCHEMBL22092189 0.91 PTPN1 (0.47) MDM2TNFMDM4TP53CASP3
SCHEMBL22092190 0.91 PTPN1 (0.47) MDM2TNFMDM4TP53CASP3
SCHEMBL30278695 0.90 MDM4 (0.41) MDM2TNFMDM4TP53PTPN1
SCHEMBL28741562 0.90 MDM4 (0.41) MDM2TNFMDM4TP53PTPN1
SCHEMBL29633697 0.90 MDM4 (0.41) MDM2TNFMDM4TP53PTPN1
SCHEMBL22444730 0.90 CASP3 (0.47) MDM2TNFMDM4TP53TLR2
SCHEMBL29277317 0.86 MDM2 (0.50) MDM2TNFMDM4TP53TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2024-11-14 US disclosed
US-12071396-B2 Method for preparing aromatic amino acid derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-08-27 US disclosed
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
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-05-12 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
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-2020189540-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE 中外製薬株式会社 2020-09-24 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 (4 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-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR MDM2 223/4885TNF 3281/4885MDM4 381/4885
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 MDM2 3655/4885TNF 2112/4885MDM4 3098/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR MDM2 223/4885TNF 3281/4885MDM4 381/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR MDM2 223/4885TNF 3281/4885MDM4 381/4885

“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.