SCHEMBL1108339

SCHEMBL1108339

CC(C)(C)OC(=O)NC(Cc1ccc(N)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.62
ITGB3 P05106 2/20 0.62
ITGA2B P08514 2/20 0.62
CTSS P25774 6/20 0.56
CTSK P43235 5/20 0.56
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
ITGB1 P05556 1/20 0.54
ITGAV P06756 1/20 0.54
ITGB5 P18084 1/20 0.54
PPARA Q07869 6/20 0.54
PPARG P37231 5/20 0.54
ITGA4 P13612 1/20 0.53
ITGB7 P26010 1/20 0.53
PTPN1 P18031 3/20 0.53
PPARD Q03181 2/20 0.52
CA2 P00918 1/20 0.50

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
SCHEMBL2730038 1.00 ACE (0.62) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL376103 1.00 ACE (0.62) ACEITGB3ITGA2BCTSSCTSK
Hydrochloric Acid SCHEMBL27338139 0.99 ACE (0.61) ACEITGB3ITGA2BCTSSCTSK
Hydrochloric Acid SCHEMBL27338140 0.99 ACE (0.61) ACEITGB3ITGA2BCTSSCTSK
Acetic Acid SCHEMBL2729607 0.97 ACE (0.60) ACEITGB3ITGA2BCTSSCTSK
Acetic Acid SCHEMBL2729608 0.97 ACE (0.60) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL20187263 0.89 CTSS (0.66) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL18228975 0.89 CTSS (0.66) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL1009069 0.89 ACE (0.62) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL19575827 0.89 REN (0.54) ACEITGB3ITGA2BCTSSCTSK

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 91 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
CN-116041210-A Chiral nano material and preparation method thereof 南京工业大学 2023-05-02 CN claimed
US-20110076718-A1 IN VIVO INCORPORATION OF AN UNNATURAL AMINO ACID COMPRISING A 1,2-AMINOTHIOL GROUP THE SCRIPPS RESEARCH INSTITUTE 2011-03-31 US claimed
WO-2009151491-A9 IN VIVO INCORPORATION OF AN UNNATURAL AMINO ACID COMPRISING A 1,2-AMINOTHIOL GROUP THE SCRIPPS RESEARCH INSTITUTE (US) 2010-01-28 WO claimed
WO-2009151491-A2 IN VIVO INCORPORATION OF AN UNNATURAL AMINO ACID COMPRISING A 1,2-AMINOTHIOL GROUP THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-17 WO claimed
CN-117480164-B Factor XIa inhibitor and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-07-05 CN disclosed
EP-4347615-A1 PROCESS FOR MAKING MELFLUFEN OR A SALT THEREOF Synthon B.V. (NL) 2024-04-10 EP disclosed
CN-117480164-A Factor XIa inhibitor and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-01-30 CN disclosed
WO-2023234425-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF ペプチドリーム株式会社 2023-12-07 WO disclosed
CN-116891437-A Amino acid derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2023-10-17 CN 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
CN-110475785-B Peptide compound, method for producing same, composition for screening, and method for selecting peptide compound 富士胶片株式会社 2023-06-13 CN disclosed
EP-1181266-A1 SQUARIC ACID DERIVATIVES AS CELL ADHESION MOLECULES Celltech R&D Limited (GB) 2002-02-27 EP disclosed
WO-2001092256-A1 2,7-NAPHTHYRIDINE DERIVATIVES CELLTECH R & D LIMITED (GB) 2001-12-06 WO disclosed
WO-2000073260-A1 SQUARIC ACID DERIVATIVES AS CELL ADHESION MOLECULES CELLTECH R&D LIMITED (GB) 2000-12-07 WO disclosed
US-6001810-A ADDING STO A BIOLOGICAL SOLUTION CONTAINING RETROVIRAL PROTEASE AN INHIBITORY AMOUNT OF SHORT PEPTIDES OF SPECIFIEDAMINO ACID SEQUENCES ELI LILLY AND COMPANY (US) 1999-12-14 US disclosed
EP-0736035-A4 PRETARGETING METHODS AND COMPOUNDS NEORX CORP (US) 1999-09-01 EP disclosed
EP-0736035-A1 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1996-10-09 EP disclosed
WO-1995015335-A2 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1995-06-08 WO disclosed
EP-0431784-A2 Methods for treating retroviral infection ELI LILLY AND COMPANY (US) 1991-06-12 EP 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 (1 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-20110076718-A1 IN VIVO INCORPORATION OF AN UNNATURAL AMINO ACID COMPRISING A 1,2-AMINOTHIOL GROUP AARS1, NSUN3, NPEPPS ACE 1053/4885ITGB3 3369/4885ITGA2B 4511/4885

“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.