SCHEMBL29686672

SCHEMBL29686672

NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.75
ITGA2B P08514 11/20 0.75
CXCR4 P61073 1/20 0.66
ITGAV P06756 8/20 0.63
ITGB5 P18084 4/20 0.62
ITGA5 P08648 1/20 0.61

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
Trifluoroacetic Acid SCHEMBL31614099 0.95 ITGB3 (0.69) ITGB3ITGA2BCXCR4ITGAVITGB5
Trifluoroacetic Acid SCHEMBL30467217 0.95 ITGB3 (0.69) ITGB3ITGA2BCXCR4ITGAVITGB5
SCHEMBL17364341 0.93 ITGB3 (0.74) ITGB3ITGA2BITGAVITGB5ITGA5
SCHEMBL29366713 0.93 ITGB3 (0.74) ITGB3ITGA2BITGAVITGB5ITGA5
Trifluoroacetic Acid SCHEMBL29488627 0.91 ITGB3 (0.64) ITGB3ITGA2BCXCR4ITGAVITGB5
SCHEMBL10049951 0.90 ITGB3 (0.60) ITGB3ITGA2BCXCR4ITGAVITGB5
Trifluoroacetic Acid SCHEMBL29992576 0.88 ITGB3 (0.75) ITGB3ITGA2BITGAVITGB5ITGA5
Trifluoroacetic Acid SCHEMBL20917265 0.88 ITGB3 (0.75) ITGB3ITGA2BITGAVITGB5ITGA5
SCHEMBL31294830 0.88 ITGB3 (0.80) ITGB3ITGA2BITGAVITGB5ITGA5
SCHEMBL29464836 0.85 ITGB3 (0.75) ITGB3ITGA2BITGAVITGB5ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12403216-B2 Chemical modification of silk fibroin for fabrication of enzymatically crosslinked hydrogels with tunable gelation kinetics and bioactivity TRUSTEES OF TUFTS COLLEGE (US) 2025-09-02 US claimed
US-20240335571-A1 PRE-TARGETING STRATEGIES FOR MOLECULAR IMAGING AND/OR RADIOIMMUNOTHERAPY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2024-10-10 US claimed
US-20240238383-A1 ANTI-OXIDANT CONTAINING PARTICLES AND METHODS OF USE UNIV OF LOWA RESEARCH FOUNDATION (US) 2024-07-18 US claimed
US-12029798-B2 Pre-targeting strategies for molecular imaging and/or radioimmunotherapy University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2024-07-09 US claimed
EP-4340894-A1 ANTI-OXIDANT CONTAINING PARTICLES AND METHODS OF USE University Of Iowa Research Foundation (US) 2024-03-27 EP claimed
US-20240082459-A1 CHEMICAL MODIFICATION OF SILK FIBROIN FOR FABRICATION OF ENZYMATICALLY CROSSLINKED HYDROGELS WITH TUNABLE GELATION KINETICS AND BIOACTIVITY TRUSTEES OF TUFTS COLLEGE 2024-03-14 US claimed
WO-2022246280-A1 ANTI-OXIDANT CONTAINING PARTICLES AND METHODS OF USE UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2022-11-24 WO claimed
US-20260102359-A1 COMBINATION TREATMENT OF DERMAL AND TRANSDERMAL FIBROTIC DISEASES, DISORDERS AND ASSOCIATED PAIN AND INFLAMMATION ERESINA LLC (US) 2026-04-16 US disclosed
US-12584112-B2 Organoid tissue engineering Ecolepol Ytechnique Federale de Lausanne (CH) 2026-03-24 US disclosed
US-12440584-B2 Macrocyclic ligands with pendant chelating moieties and complexes thereof LUMIPHORE, INC. (US) 2025-10-14 US disclosed
EP-4615869-A1 COMBINATION THERAPY COMPRISING BISPECIFIC ANTIBODIES COMPRISING AN NRP1 BINDING DOMAIN Pinetree Therapeutics, Inc. (US) 2025-09-17 EP disclosed
US-12403216-B2 Chemical modification of silk fibroin for fabrication of enzymatically crosslinked hydrogels with tunable gelation kinetics and bioactivity TRUSTEES OF TUFTS COLLEGE (US) 2025-09-02 US disclosed
CN-120189488-A Application of mimic polypeptide containing fibrinogen RGD module in preparation of medicines for preventing and/or treating parkinsonism 南方医科大学珠江医院 2025-06-24 CN disclosed
US-11603371-B2 Macrocyclic ligands with pendant chelating moieties and complexes thereof LUMIPHORE, INC. (US) 2023-03-14 US disclosed
US-11549017-B2 NIR to SWIR fluorescent compounds for imaging and detection PERKINELMER HEALTH SCIENCES, INC. (US) 2023-01-10 US disclosed
US-20220378739-A1 NATURAL KILLER CELL IMMUNOTHERAPY FOR THE TREATMENT OF GLIOBLASTOMA AND OTHER CANCERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2022-12-01 US disclosed
US-11466063-B2 Conjugated knottin mini-proteins containing non-natural amino acids THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-10-11 US disclosed
EP-4065691-A1 NATURAL KILLER CELL IMMUNOTHERAPY FOR THE TREATMENT OF GLIOBLASTOMA AND OTHER CANCERS Board of Regents, The University of Texas System (US) 2022-10-05 EP disclosed
CN-114929853-A Natural killer cell immunotherapy for the treatment of glioblastoma and other cancers 得克萨斯大学体系董事会 2022-08-19 CN disclosed
US-20220175714-A1 USE OF RIVASTIGMINE IN PREPARATION OF ANTI-RADIATION MEDICAMENT SOOCHOW UNIVERSITY (CN) 2022-06-09 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 (6 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-12584112-B2 Organoid tissue engineering KIT, EPCAM, ALPG ITGB3 19/4885ITGA2B 65/4885CXCR4 2474/4885
US-12440584-B2 Macrocyclic ligands with pendant chelating moieties and complexes thereof TFRC, CLTC, SLC39A3 ITGB3 458/4885ITGA2B 833/4885CXCR4 764/4885
US-11603371-B2 Macrocyclic ligands with pendant chelating moieties and complexes thereof TFRC, CLTC, SLC39A3 ITGB3 458/4885ITGA2B 833/4885CXCR4 764/4885
US-20260102359-A1 COMBINATION TREATMENT OF DERMAL AND TRANSDERMAL FIBROTIC DISEASES, DISORDERS AND ASSOCIATED PAIN AND INFLAMMATION COL2A1, COLGALT1, PLOD3 ITGB3 1125/4885ITGA2B 1286/4885CXCR4 4098/4885
US-11549017-B2 NIR to SWIR fluorescent compounds for imaging and detection SMARCD1, SMARCE1, SMARCB1 ITGB3 2647/4885ITGA2B 2333/4885CXCR4 3889/4885
US-11466063-B2 Conjugated knottin mini-proteins containing non-natural amino acids ECPAS, ATRIP, ANPEP ITGB3 216/4885ITGA2B 86/4885CXCR4 4598/4885

“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.