SCHEMBL31037195

SCHEMBL31037195

CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.45
▸ ITGA2B P08514 1/20 0.45
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ FABP5 Q01469 3/20 0.36
▸ FABP7 O15540 2/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ MDM4 O15151 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ACACB O00763 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSK P43235 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
SCHEMBL15632803 1.00 ITGB3 (0.45) ITGB3ITGA2BPPARGPPARAFABP5
SCHEMBL17265629 1.00 ITGB3 (0.45) ITGB3ITGA2BPPARGPPARAFABP5
SCHEMBL31437117 1.00 ITGB3 (0.45) ITGB3ITGA2BPPARGPPARAFABP5
SCHEMBL31037194 1.00 ITGB3 (0.45) ITGB3ITGA2BPPARGPPARAFABP5
SCHEMBL16482875 0.91 ITGB3 (0.39) ITGB3ITGA2BPPARGPPARAFABP5
SCHEMBL25185646 0.91 ITGB3 (0.45) ITGB3ITGA2BPPARGPPARAFABP5
SCHEMBL25185647 0.91 ITGB3 (0.45) ITGB3ITGA2BPPARGPPARAFABP5
SCHEMBL29855055 0.91 ITGB3 (0.45) ITGB3ITGA2BPPARGPPARAFABP5
SCHEMBL25357586 0.89 ITGB3 (0.40) ITGB3ITGA2BPPARGPPARAFABP5
SCHEMBL25357591 0.89 ITGB3 (0.40) ITGB3ITGA2BPPARGPPARAFABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3647319-B1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME XDCEXPLORER SHANGHAI CO LTD (CN) 2025-04-09 — — EP disclosed
US-12129312-B2 Peptide compound, application thereof and composition containing same XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2024-10-29 — — US disclosed
US-20240209023-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2024-06-27 — — US 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-12129312-B2 Peptide compound, application thereof and composition containing same VIP, NGLY1, FURIN ITGB3 4612/4885ITGA2B 4738/4885PPARG 4226/4885
US-20240209023-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME VIP, NGLY1, FURIN ITGB3 4490/4885ITGA2B 4681/4885PPARG 3852/4885

“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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