SCHEMBL25672

SCHEMBL25672

Cc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.65
PPARG P37231 6/20 0.65
ACE P12821 1/20 0.64
ITGB3 P05106 2/20 0.63
ITGA2B P08514 2/20 0.63
CTSS P25774 6/20 0.57
CTSK P43235 5/20 0.57
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56
ITGA4 P13612 1/20 0.54
ITGB7 P26010 1/20 0.54
PTPN1 P18031 3/20 0.53
PPARD Q03181 2/20 0.53
ITGB1 P05556 1/20 0.53
ITGAV P06756 1/20 0.53
ITGB5 P18084 1/20 0.53

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
SCHEMBL5061931 1.00 PPARA (0.65) PPARAPPARGACEITGB3ITGA2B
SCHEMBL1458942 1.00 PPARA (0.65) PPARAPPARGACEITGB3ITGA2B
Diethanolamine SCHEMBL5151297 0.91 ITGB3 (0.58) PPARAPPARGACEITGB3ITGA2B
SCHEMBL16448191 0.89 ACE (0.64) PPARAPPARGACEITGB3ITGA2B
SCHEMBL1368753 0.89 ACE (0.64) PPARAPPARGACEITGB3ITGA2B
SCHEMBL25284980 0.89 ACE (0.64) PPARAPPARGACEITGB3ITGA2B
SCHEMBL9502547 0.89 ACE (0.64) PPARAPPARGACEITGB3ITGA2B
SCHEMBL17910302 0.89 PPARG (0.55) PPARAPPARGACEITGB3ITGA2B
SCHEMBL231980 0.89 CTSS (0.71) PPARAPPARGACEITGB3ITGA2B
SCHEMBL17910300 0.89 PPARG (0.55) 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 59 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-4702033-A1 DESMURAMYLPEPTIDE DIACIDS AS NOD2 AGONISTS AND USE THEREOF Imhotex Limited (GB) 2026-03-04 EP disclosed
US-20260001924-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME NEW YORK UNIVERSITY (US) 2026-01-01 US disclosed
US-12371461-B2 Nemo coiled coil mimics and methods of using same NEW YORK UNIVERSITY (US) 2025-07-29 US disclosed
EP-3303367-B1 STABILIZED MINIMAL COILED-COIL MIMETICS UNIV NEW YORK (US) 2025-06-18 EP disclosed
CN-118955391-A Substituted N- (2-oxo ethyl) benzamide derivative and preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-11-15 CN disclosed
WO-2024224086-A1 DESMURAMYLPEPTIDE DIACIDS AS NOD2 AGONISTS AND USE THEREOF Imhotex Limited (GB) 2024-10-31 WO disclosed
WO-2024224093-A1 DESMURAMYLPEPTIDE DIEESTERS AS NOD2 AGONISTS AND USE THEREOF Imhotex Limited (GB) 2024-10-31 WO disclosed
US-20240190930-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME UNIV NEW YORK (US) 2024-06-13 US disclosed
US-20240057599-A1 METHODS FOR IMPROVING FRUIT QUALITY THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2024-02-22 US disclosed
EP-2483280-A1 NEW AMINOACID DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS INHIBITORS OF ONCOGENIC SIGNALS BY THE MET FAMILY Université d'Aix-Marseille (FR) 2012-08-08 EP disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed
US-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-12-22 US disclosed
WO-2011036303-A1 NEW AMINOACID DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS INHIBITORS OF ONCOGENIC SIGNALS BY THE MET FAMILY UNIVERSITE DE LA MEDITERRANEE AIX-MARSEILLE II (FR) 2011-03-31 WO disclosed
EP-1989186-B1 HYDANTOIN BASED KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-17 EP disclosed
WO-2010091164-A1 INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE EXELIXIS, INC. (US) 2010-08-12 WO disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 US disclosed
US-7612212-B2 2-[(S)-2-((S)-2,5-dioxo-4-phenyl-imidazolidin-1-yl)-4-methyl-pentanoylamino]-thiazole-4-carboxylic acid methyl ester; mitogen activated protein/extracellular signal regulated kinase kinase inhibitor; anticarcinogenic agent, cognition activator, nervous and autoimmune system disorders HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS NIU HUIFENG 2008-08-28 US disclosed
US-20070197617-A1 Substituted hydantoins CHEN SHAOQING 2007-08-23 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 (7 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-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 PPARA 4373/4885PPARG 4806/4885ACE 4/4885
US-20070197617-A1 Substituted hydantoins HNMT, HRH3, BRAF PPARA 3503/4885PPARG 2696/4885ACE 1322/4885
US-12371461-B2 Nemo coiled coil mimics and methods of using same COIL, CALCOCO2, NCAPH PPARA 4497/4885PPARG 4002/4885ACE 4652/4885
US-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS SLCO1B3, SLCO2B1, FLI1 PPARA 695/4885PPARG 324/4885ACE 3215/4885
US-20260001924-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME DDX21, PHAX, RBX1 PPARA 3778/4885PPARG 3003/4885ACE 4863/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC PPARA 3199/4885PPARG 4212/4885ACE 600/4885
US-20240190930-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME COIL, CALCOCO2, NCAPH PPARA 4462/4885PPARG 4013/4885ACE 4653/4885

“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.