SCHEMBL29398902

SCHEMBL29398902

CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
FABP5 Q01469 3/20 0.43
FABP7 O15540 2/20 0.43
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
KMT2A Q03164 2/20 0.41
CASP3 P42574 1/20 0.40
ABCB1 P08183 1/20 0.39
EPHX2 P34913 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
SCHEMBL29633817 1.00 ITGB3 (0.45) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL30510296 1.00 ITGB3 (0.45) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL29400893 1.00 ITGB3 (0.45) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL120595 1.00 ITGB3 (0.45) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL120592 1.00 ITGB3 (0.45) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL118926 1.00 ITGB3 (0.45) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL30688517 0.95 ITGB3 (0.44) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL25182226 0.93 ITGB3 (0.42) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL25182320 0.93 ITGB3 (0.42) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL25356271 0.93 PPARG (0.43) ITGB3ITGA2BFABP5FABP7PPARG

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114085269-B All-solid-phase synthesis method of Hoshinoamide A 滁州学院 2024-01-30 CN claimed
CN-114085269-A All-solid-phase synthesis method of Hoshinoamide A 滁州学院 2022-02-25 CN claimed
US-20250320248-A1 MENAQUINONE-BINDING COMPOUNDS AND METHODS OF USE THEREOF UNIV ROCKEFELLER (US) 2025-10-16 US disclosed
US-12410212-B2 Cyclic compound having selective KRAS inhibitory effect on HRAS and NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-09-09 US disclosed
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-07-29 US disclosed
US-20250230193-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS CHUGAI PHARMACEUTICAL CO LTD (JP) 2025-07-17 US disclosed
US-20250129125-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2025-04-24 US disclosed
EP-4512818-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS Chugai Seiyaku Kabushiki Kaisha (JP) 2025-02-26 EP disclosed
US-20250051394-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-02-13 US disclosed
US-12187816-B2 Macrocyclic compounds and methods of use thereof GENENTECH, INC. (US) 2025-01-07 US disclosed
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-12-05 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
WO-2023070085-A2 MENAQUINONE-BINDING COMPOUNDS AND METHODS OF USE THEREOF THE ROCKEFELLER UNIVERSITY (US) 2023-04-27 WO disclosed
EP-4168121-A2 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF Genentech, Inc. (US) 2023-04-26 EP disclosed
CN-115702026-A Macrocyclic compounds and methods of use thereof 基因泰克公司 2023-02-14 CN disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
US-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-04-07 US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed
CN-114085269-A All-solid-phase synthesis method of Hoshinoamide A 滁州学院 2022-02-25 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 (10 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-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PAICS, CYCS, LSS ITGB3 3132/4885ITGA2B 3367/4885FABP5 4000/4885
US-12187816-B2 Macrocyclic compounds and methods of use thereof PAICS, CYCS, LSS ITGB3 3132/4885ITGA2B 3367/4885FABP5 4000/4885
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS ITGB3 4849/4885ITGA2B 4821/4885FABP5 4094/4885
US-20250320248-A1 MENAQUINONE-BINDING COMPOUNDS AND METHODS OF USE THEREOF PROC, NQO1, MMAB ITGB3 1091/4885ITGA2B 809/4885FABP5 487/4885
US-20250129125-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PAICS, CYCS, LSS ITGB3 3132/4885ITGA2B 3367/4885FABP5 4000/4885
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS ITGB3 4849/4885ITGA2B 4821/4885FABP5 4094/4885
US-12410212-B2 Cyclic compound having selective KRAS inhibitory effect on HRAS and NRAS KRAS, HRAS, NRAS ITGB3 4856/4885ITGA2B 4718/4885FABP5 4631/4885
US-20250051394-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS KRAS, HRAS, NRAS ITGB3 4856/4885ITGA2B 4718/4885FABP5 4631/4885
US-20250230193-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS KRAS, HRAS, NRAS ITGB3 4856/4885ITGA2B 4718/4885FABP5 4631/4885
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action KRAS, NRAS, HRAS ITGB3 4849/4885ITGA2B 4821/4885FABP5 4094/4885

“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.