SCHEMBL440723

SCHEMBL440723

CC(C)(C)OC(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.68
PPARG P37231 4/20 0.68
ACE P12821 1/20 0.58
ITGB3 P05106 2/20 0.57
ITGA2B P08514 2/20 0.57
CA2 P00918 1/20 0.54
CTSS P25774 6/20 0.52
CTSK P43235 5/20 0.52
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
ITGA4 P13612 2/20 0.51
ITGB7 P26010 2/20 0.51
PTPN1 P18031 2/20 0.49
ITGB1 P05556 1/20 0.48
ITGAV P06756 1/20 0.48
ITGB5 P18084 1/20 0.48
PPARD Q03181 2/20 0.48

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
SCHEMBL441283 1.00 PPARA (0.68) PPARAPPARGACEITGB3ITGA2B
SCHEMBL199415 1.00 PPARA (0.68) PPARAPPARGACEITGB3ITGA2B
SCHEMBL4797933 0.94 PPARG (0.62) PPARAPPARGACEITGB3ITGA2B
SCHEMBL4094724 0.94 PPARG (0.62) PPARAPPARGACEITGB3ITGA2B
SCHEMBL8976947 0.93 PPARA (0.60) PPARAPPARGACEITGB3ITGA2B
SCHEMBL3821796 0.92 PPARA (0.60) PPARAPPARGACEITGB3ITGA2B
SCHEMBL20187250 0.90 CTSS (0.61) PPARAPPARGACEITGB3ITGA2B
SCHEMBL3840582 0.90 PPARG (0.58) PPARAPPARGACEITGB3ITGA2B
SCHEMBL18228983 0.90 CTSS (0.61) PPARAPPARGACEITGB3ITGA2B
SCHEMBL10034081 0.90 PPARG (0.60) PPARAPPARGACEITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539158-B FXIa inhibitor compound and preparation method and application thereof 沈阳药科大学 2023-12-08 CN claimed
CN-114539158-A FXIa inhibitor compound and preparation method and application thereof 沈阳药科大学 2022-05-27 CN claimed
EP-3604326-B1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM CORP (JP) 2026-01-07 EP disclosed
EP-4619406-A1 TRICYCLIC COMPOUNDS Schrödinger, Inc. (US) 2025-09-24 EP disclosed
EP-4538258-A1 IMIDAZOLIDINYL VANILLIC ACID ETHER DERIVATIVE AND USE THEREOF Hefei Institute of Pharmaceutical Industry Co., Ltd. (CN) 2025-04-16 EP disclosed
US-20250049937-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF ADCENTRX THERAPEUTICS INC (US) 2025-02-13 US disclosed
CN-115053184-B Composition for forming EUV resist underlayer film 日产化学株式会社 2024-12-06 CN disclosed
US-12152023-B2 Compositions, formulations and methods for treating ocular diseases EyePoint Pharmaceuticals, Inc. (US) 2024-11-26 US disclosed
EP-4453000-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF Adcentrx Therapeutics Inc. (US) 2024-10-30 EP disclosed
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
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
WO-1988001618-A1 BACKBONE POLYSUBSTITUTED CHELATES FOR FORMING A METAL CHELATE-PROTEIN CONJUGATE GANSOW OTTO A (US) 1988-03-10 WO disclosed
EP-0220279-A1 METHOD OF FORMING A METAL CHELATE PROTEIN CONJUGATE GANSOW, Otto A. (US) 1987-05-06 EP disclosed
EP-0217286-A1 Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1987-04-08 EP disclosed
WO-1986006384-A1 METHOD OF FORMING A METAL CHELATE PROTEIN CONJUGATE GANSOW OTTO A (US) 1986-11-06 WO disclosed
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 EP disclosed
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 US disclosed
EP-0036713-B1 ANGIOTENSIN CONVERTING ENZYME INHIBITORS UNIVERSITY OF MIAMI (US) 1984-01-18 EP disclosed
EP-0071926-A1 New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 EP disclosed
EP-0036713-A2 Angiotensin converting enzyme inhibitors UNIVERSITY OF MIAMI (US) 1981-09-30 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 (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-20250049937-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF AURKC, AURKA, AURKB PPARA 3815/4885PPARG 3158/4885ACE 3756/4885
US-12152023-B2 Compositions, formulations and methods for treating ocular diseases TIE1, TEK, KDR PPARA 1801/4885PPARG 2449/4885ACE 1795/4885

“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.