SCHEMBL335310

SCHEMBL335310

COc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.67
ITGA2B P08514 1/20 0.67
PPARG P37231 1/20 0.66
PPARA Q07869 1/20 0.66
ACE P12821 1/20 0.61
ITGA4 P13612 2/20 0.58
ITGB7 P26010 2/20 0.58
PTPN1 P18031 3/20 0.57
FPR2 P25090 1/20 0.56
KMT2A Q03164 1/20 0.56
LDHA P00338 1/20 0.55
CTSS P25774 6/20 0.55
CTSK P43235 5/20 0.55
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
CA2 P00918 1/20 0.54

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
SCHEMBL335309 1.00 ITGB3 (0.67) ITGB3ITGA2BPPARGPPARAACE
SCHEMBL1308867 1.00 ITGB3 (0.67) ITGB3ITGA2BPPARGPPARAACE
SCHEMBL3728960 0.96 ITGB3 (0.64) ITGB3ITGA2BPPARGPPARAACE
SCHEMBL3728957 0.96 ITGB3 (0.64) ITGB3ITGA2BPPARGPPARAACE
SCHEMBL8091309 0.90 ITGB3 (0.57) ITGB3ITGA2BPPARGPPARAACE
SCHEMBL16124030 0.90 ITGB3 (0.57) ITGB3ITGA2BPPARGPPARAACE
SCHEMBL16228288 0.90 ITGB3 (0.57) ITGB3ITGA2BPPARGPPARAACE
SCHEMBL16228287 0.90 ITGB3 (0.57) ITGB3ITGA2BPPARGPPARAACE
SCHEMBL12062761 0.90 ITGB3 (0.57) ITGB3ITGA2BPPARGPPARAACE
SCHEMBL16228734 0.90 ITGB3 (0.57) ITGB3ITGA2BPPARGPPARAACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874803-A Antibacterial dendritic polyester polymer and preparation method and application thereof 清华大学深圳国际研究生院 2023-10-13 CN claimed
EP-4727552-A2 PASSIVE PERMEABLE PCSK9 ANTAGONIST COMPOUNDS Merck Sharp & Dohme LLC (US) 2026-04-22 EP disclosed
WO-2024259310-A2 PASSIVE PERMEABLE PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC (US) 2024-12-19 WO disclosed
CN-116874803-A Antibacterial dendritic polyester polymer and preparation method and application thereof 清华大学深圳国际研究生院 2023-10-13 CN disclosed
US-20230295613-A1 LONG CHAIN CARBON AND CYCLIC AMINO ACIDS SUBSTRATES FOR GENETIC CODE REPROGRAMMING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2023-09-21 US disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
CN-115867648-A Extension of chemical substrates for genetic code reprogramming to include long chain carbons and cyclic amino acids 西北大学 2023-03-28 CN disclosed
CN-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 CN disclosed
CN-108884058-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2022-04-29 CN disclosed
CN-109219596-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2022-04-19 CN disclosed
US-7371869-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
US-20070197617-A1 Substituted hydantoins CHEN SHAOQING 2007-08-23 US disclosed
CN-1839150-A Lipopeptide antibacterial derivative composition and application method thereof MIGENIX INC (CA) 2006-09-27 CN disclosed
US-20060063814-A1 Substituted hydantoins GOODNOW ROBERT A JR 2006-03-23 US disclosed
WO-2002048097-A9 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF PARASITIC INFECTIONS CORVAS INT INC (US) 2003-05-08 WO disclosed
US-20020107266-A1 Compounds, compositions and methods for treatment of parasitic infections DENDREON CORPORATION 2002-08-08 US disclosed
WO-2002048097-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF PARASITIC INFECTIONS CORVAS INTERNATIONAL, INC. (US) 2002-06-20 WO disclosed
CN-1183770-A Piperazine derivatives, medicaments containing these compounds, their use and processes for their preparation THOMAE GMBH DR K (DE) 1998-06-03 CN disclosed
CN-1104634-A Compounds having sulfamoyl and amidino groups, process for their preparation and pharmaceutical compositions containing them SANOFI ELF (FR) 1995-07-05 CN disclosed
US-4508645-A CYCLIC OLIGOPEPTIDE CONTAINING PENICILLAMINE RESIDE CESKOSLOVENSKA AKADEMIE VED (CS) 1985-04-02 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 (3 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-20070197617-A1 Substituted hydantoins HNMT, HRH3, BRAF ITGB3 4777/4885ITGA2B 4740/4885PPARG 2696/4885
US-20020107266-A1 Compounds, compositions and methods for treatment of parasitic infections CAT, CTSA, CTRL ITGB3 873/4885ITGA2B 2183/4885PPARG 1973/4885
US-20060063814-A1 Substituted hydantoins HNMT, MAPK6, KYNU ITGB3 4727/4885ITGA2B 4585/4885PPARG 2185/4885

“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.