SCHEMBL5884644

SCHEMBL5884644

COC(=O)CCNCC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
CA12 O43570 6/20 0.42
CA14 Q9ULX7 6/20 0.42
CA2 P00918 3/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CA1 P00915 1/20 0.39
RECQL P46063 1/20 0.38
DGAT1 O75907 1/20 0.36
TET2 Q6N021 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
KDM4E B2RXH2 1/20 0.34
LTA4H P09960 1/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL31688795 0.92 CA12 (0.45) TSHRCA12CA14CA2MAOA
SCHEMBL12581334 0.92 MAOA (0.41) CA12CA14CA2MAOAMAOB
Hydrochloric Acid SCHEMBL13269542 0.90 MAOA (0.40) CA12CA14CA2MAOAMAOB
SCHEMBL7432213 0.89 TSHR (0.48) TSHRCA12CA14CA2MAOA
SCHEMBL3809747 0.89 MAOA (0.39) CA12CA14CA2MAOAMAOB
SCHEMBL7429955 0.87 TSHR (0.47) TSHRCA12CA14CA2MAOA
SCHEMBL19032764 0.86 MAOA (0.49) TSHRCA12CA14CA2MAOA
SCHEMBL6535041 0.86 MAOA (0.44) CA12CA14CA2MAOAMAOB
SCHEMBL756032 0.85 MAOA (0.39) TSHRCA12CA14CA2MAOA
SCHEMBL753960 0.84 ALDH1A1 (0.46) TSHRMAOAMAOBMEN1KMT2A

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 15 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
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
US-7482376-B2 Conjugated complement cascade inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2009-01-27 US disclosed
US-7102008-B2 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-05 US disclosed
US-20040063698-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
EP-1076663-B1 FUNCTIONALIZED ALKYL AND ALKENYL SIDE CHAIN DERIVATIVES OF GLYCINAMIDES AS FARNESYL TRANSFERASE INHIBITORS WARNER LAMBERT CO (US) 2004-02-18 EP disclosed
WO-2004012663-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-12 WO disclosed
US-6369034-B1 FOR THERAPY OF CANCER, RESTENOSIS, AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2002-04-09 US disclosed
EP-1076663-A1 FUNCTIONALIZED ALKYL AND ALKENYL SIDE CHAIN DERIVATIVES OF GLYCINAMIDES AS FARNESYL TRANSFERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-02-21 EP disclosed
WO-1999055725-A1 FUNCTIONALIZED ALKYL AND ALKENYL SIDE CHAIN DERIVATIVES OF GLYCINAMIDES AS FARNESYL TRANSFERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-11-04 WO disclosed
EP-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP 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 (2 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 TSHR 3781/4885CA12 1136/4885CA14 1028/4885
US-20040063698-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme MMP9, ADAM17, MMP3 TSHR 2438/4885CA12 449/4885CA14 283/4885

“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.