SCHEMBL441283

SCHEMBL441283

CC(C)(C)OC(=O)N[C@H](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
SCHEMBL440723 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 57 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-3303367-B1 STABILIZED MINIMAL COILED-COIL MIMETICS UNIV NEW YORK (US) 2025-06-18 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-12234225-B2 IL-17 ligands and uses thereof DICE ALPHA, INC. (US) 2025-02-25 US disclosed
US-20240368158-A1 KINASE MODULATORS, COMPOSITIONS COMPRISING THE KINASE MODULATOR, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2024-11-07 US disclosed
CN-113874080-B IL-17A modulators and uses thereof 戴斯阿尔法公司 2024-09-27 CN disclosed
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
EP-4392417-A1 KINASE MODULATORS, COMPOSITIONS COMPRISING THE KINASE MODULATOR, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2024-07-03 EP disclosed
US-20240124539-A1 CROSSLINKED HELIX DIMER MIMICS OF SOS AND METHODS OF USING SAME NEW YORK UNIVERSITY 2024-04-18 US disclosed
CN-117881671-A Kinase modulators, compositions comprising the same, and methods of use thereof 百放开曼有限公司 2024-04-12 CN disclosed
EP-1497450-A2 METHODS FOR IDENTIFYING COMPOUNDS THAT MODULATE ENZYMATIC ACTIVITY Sunesis Pharmaceuticals, Inc. (US) 2005-01-19 EP disclosed
US-20040208828-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic acid and derivatives thereof, process for their production and use for the production of pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-10-21 US disclosed
US-20040005632-A1 Methods for identifying compounds that modulate enzymatic activity SUNESIS PHARMACEUTICALS, INC. 2004-01-08 US disclosed
WO-2003087054-A2 METHODS FOR IDENTIFYING COMPOUNDS THAT MODULATE ENZYMATIC ACTIVITY SUNESIS PHARMACEUTICALS, INC. (US) 2003-10-23 WO disclosed
EP-0891325-B1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-02-06 EP disclosed
EP-1157985-A1 Para- substituted phenylene derivatives and their use as integrin antagonists G.D. SEARLE & CO. (US) 2001-11-28 EP disclosed
US-6251944-B1 (VITRONECTIN RECEPTOR) INTEGRIN ANTAGONIST, USEFUL FOR TREATING ANGIOGENESIS, TUMOR GROWTH, TUMOR METASTASIS, OSTEOPOROSIS AND HUMORAL HYPERCALCEMIA OF MALIGNANCY G. D. SEARLE & COMPANY 2001-06-26 US disclosed
US-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed
EP-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP disclosed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO 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 (5 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-20040208828-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic acid and derivatives thereof, process for their production and use for the production of pharmaceutical agents CYP4B1, CYP2B6, UGT2B7 PPARA 1198/4885PPARG 1356/4885ACE 2447/4885
US-20040005632-A1 Methods for identifying compounds that modulate enzymatic activity RNASE1, GBA3, AADAC PPARA 3650/4885PPARG 3451/4885ACE 247/4885
US-12234225-B2 IL-17 ligands and uses thereof IL17A, IL2, IL15 PPARA 265/4885PPARG 184/4885ACE 4298/4885
US-20240124539-A1 CROSSLINKED HELIX DIMER MIMICS OF SOS AND METHODS OF USING SAME SOS2, SOS1, F2 PPARA 4384/4885PPARG 2882/4885ACE 4710/4885
US-20240368158-A1 KINASE MODULATORS, COMPOSITIONS COMPRISING THE KINASE MODULATOR, AND METHODS OF USING THE SAME FLT3, PHKG1, LTK PPARA 2571/4885PPARG 1363/4885ACE 4230/4885

“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.