SCHEMBL21837546

SCHEMBL21837546

O=C(NC(COCCOCc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.58
FOLH1 Q04609 1/20 0.56
PPARG P37231 2/20 0.53
CASP1 P29466 1/20 0.53
ITGB3 P05106 4/20 0.53
ITGA2B P08514 4/20 0.53
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CTSK P43235 4/20 0.52
TACR1 P25103 2/20 0.52
CTSL P07711 2/20 0.52
CTSS P25774 2/20 0.52
CTRB1 P17538 2/20 0.51
CTSB P07858 1/20 0.51

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
SCHEMBL21837541 1.00 PPARA (0.58) PPARAFOLH1PPARGCASP1ITGB3
SCHEMBL1171673 0.94 PPARA (0.64) PPARAFOLH1PPARGCASP1CTSK
SCHEMBL28595041 0.94 PPARA (0.64) PPARAFOLH1PPARGCASP1CTSK
SCHEMBL1024175 0.94 PPARA (0.64) PPARAFOLH1PPARGCASP1CTSK
SCHEMBL31456302 0.91 PPARA (0.55) PPARAFOLH1PPARGCASP1ITGB3
SCHEMBL21837386 0.91 KYNU (0.58) PPARACASP1CTSKCTSLCTSS
SCHEMBL21837385 0.91 KYNU (0.58) PPARACASP1CTSKCTSLCTSS
SCHEMBL22092103 0.89 CASP1 (0.55) PPARAFOLH1PPARGCASP1ITGB3
SCHEMBL22092102 0.89 CASP1 (0.55) PPARAFOLH1PPARGCASP1ITGB3
SCHEMBL5827383 0.89 PPARA (0.62) PPARAFOLH1PPARGITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118256591-A Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-06-28 CN 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
CN-110869544-B Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-03-08 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
US-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-04-30 US disclosed
EP-3636807-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2020-04-15 EP disclosed
EP-3636807-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2020-04-15 EP disclosed
CN-110869544-A Cyclic peptide compound having high membrane permeability and library containing same 中外制药株式会社 2020-03-06 CN 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-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME VIP, SLC7A1, TRPV1 PPARA 3741/4885FOLH1 1020/4885PPARG 4585/4885
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 PPARA 1928/4885FOLH1 138/4885PPARG 3252/4885

“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.