SCHEMBL29779331

SCHEMBL29779331

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
EPHX2 P34913 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
KMT2A Q03164 2/20 0.40
FABP5 Q01469 3/20 0.40
FABP7 O15540 2/20 0.40
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.37
ABCB1 P08183 1/20 0.36

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
SCHEMBL5577090 1.00 ITGB3 (0.44) ITGB3ITGA2BEPHX2PPARGPPARA
SCHEMBL28012104 0.94 ITGB3 (0.43) ITGB3ITGA2BEPHX2PPARGPPARA
SCHEMBL15632804 0.94 ITGB3 (0.43) ITGB3ITGA2BEPHX2PPARGPPARA
SCHEMBL29633817 0.93 ITGB3 (0.45) ITGB3ITGA2BEPHX2PPARGPPARA
SCHEMBL29398902 0.93 ITGB3 (0.45) ITGB3ITGA2BEPHX2PPARGPPARA
SCHEMBL30510296 0.93 ITGB3 (0.45) ITGB3ITGA2BEPHX2PPARGPPARA
SCHEMBL118926 0.93 ITGB3 (0.45) ITGB3ITGA2BEPHX2PPARGPPARA
SCHEMBL120595 0.93 ITGB3 (0.45) ITGB3ITGA2BEPHX2PPARGPPARA
SCHEMBL120592 0.93 ITGB3 (0.45) ITGB3ITGA2BEPHX2PPARGPPARA
SCHEMBL29400893 0.93 ITGB3 (0.45) ITGB3ITGA2BEPHX2PPARGPPARA

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 4 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-11612661-B2 Conotoxin peptide analogs and uses for the treatment of pain and inflammatory conditions KINETA CHRONIC PAIN, LLC (US) 2023-03-28 US disclosed
CN-109134610-B Peptide compound, application thereof and composition containing peptide compound 尚华医药科技(江西)有限公司 2022-07-08 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-11612661-B2 Conotoxin peptide analogs and uses for the treatment of pain and inflammatory conditions CHRNG, CHRNA9, CHRNA10 ITGB3 401/4885ITGA2B 268/4885EPHX2 2218/4885
US-12129312-B2 Peptide compound, application thereof and composition containing same VIP, NGLY1, FURIN ITGB3 4612/4885ITGA2B 4738/4885EPHX2 1798/4885

“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.