SCHEMBL30517416

SCHEMBL30517416

CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.43
▸ ITGB1 P05556 1/20 0.43
▸ ITGAV P06756 1/20 0.43
▸ ITGA5 P08648 1/20 0.43
▸ ITGA4 P13612 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ACE P12821 4/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ MDM4 O15151 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ FABP7 O15540 1/20 0.39
▸ FABP5 Q01469 1/20 0.39
▸ CASP3 P42574 1/20 0.39

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
SCHEMBL24414220 0.86 CASP3 (0.43) KMT2AF2MDM4TP53CASP3
SCHEMBL29503800 0.82 ALDH1A1 (0.58) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL30564473 0.82 ALDH1A1 (0.58) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL29378245 0.82 ALDH1A1 (0.58) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL29503770 0.82 ALDH1A1 (0.58) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL119560 0.82 ALDH1A1 (0.58) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL1002927 0.82 ALDH1A1 (0.58) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL29349958 0.82 ALDH1A1 (0.58) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL118354 0.82 ALDH1A1 (0.58) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL29549607 0.82 ALDH1A1 (0.58) ITGB3ITGB1ITGAVITGA5ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250353875-A1 PEPTIDE SYNTHESIS METHOD FOR SUPPRESSING DEFECT CAUSED BY DIKETOPIPERAZINE FORMATION CHUGAI PHARMACEUTICAL CO LTD (JP) 2025-11-20 — — US disclosed
EP-4509517-A1 PEPTIDE SYNTHESIS METHOD FOR SUPPRESSING DEFECT CAUSED BY DIKETOPIPERAZINE FORMATION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-02-19 — — EP disclosed
US-20230391818-A1 PEPTIDE SYNTHESIS METHOD FOR SUPPRESSING DEFECT CAUSED BY DIKETOPIPERAZINE FORMATION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-12-07 — — US disclosed
EP-4242219-A1 PEPTIDE SYNTHESIS METHOD FOR SUPPRESSING DEFECT CAUSED BY DIKETOPIPERAZINE FORMATION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-09-13 — — EP disclosed
CN-116507763-A Peptide synthesis method for inhibiting defects caused by diketopiperazine formation 中外制药株式会社 2023-07-28 — — 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-20230391818-A1 PEPTIDE SYNTHESIS METHOD FOR SUPPRESSING DEFECT CAUSED BY DIKETOPIPERAZINE FORMATION VIP, DNPEP, NPPA ITGB3 4857/4885ITGB1 4865/4885ITGAV 4870/4885
US-20250353875-A1 PEPTIDE SYNTHESIS METHOD FOR SUPPRESSING DEFECT CAUSED BY DIKETOPIPERAZINE FORMATION VIP, NPPA, DNPEP ITGB3 4832/4885ITGB1 4841/4885ITGAV 4855/4885

“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.

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