SCHEMBL2082970

SCHEMBL2082970

CC(C)(C)OC(=O)NC(CSC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.53
PPARG P37231 10/20 0.53
PPARD Q03181 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
CTSS P25774 5/20 0.46
CTSK P43235 5/20 0.46
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
ACE P12821 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL7860189 1.00 PPARA (0.53) PPARAPPARGPPARDCYP1A2CYP2C9
SCHEMBL6692318 0.87 PPARA (0.53) PPARAPPARGPPARDCYP1A2CYP2C9
SCHEMBL8582258 0.87 MAPT (0.44) PPARAPPARGPPARDCYP1A2CYP2C9
SCHEMBL13640190 0.87 PPARA (0.53) PPARAPPARGPPARDCYP1A2CYP2C9
SCHEMBL5921691 0.87 PPARA (0.53) PPARAPPARGPPARDCYP1A2CYP2C9
SCHEMBL18954453 0.86 PPARA (0.55) PPARAPPARGPPARDCYP1A2CYP2C9
SCHEMBL23927278 0.85 PPARA (0.64) PPARAPPARGPPARDCYP1A2CYP2C9
SCHEMBL2541324 0.85 PPARA (0.57) PPARAPPARGPPARDCYP1A2CYP2C9
SCHEMBL432222 0.85 PPARA (0.57) PPARAPPARGPPARDCYP1A2CYP2C9
SCHEMBL1618767 0.85 PPARA (0.57) PPARAPPARGPPARDCYP1A2CYP2C9

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0052870-A1 Amino acid derivatives and processes for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-02 EP claimed
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO disclosed
US-20040209921-A1 CXCR4 chemokine receptor binding comounds ANORMED CORPORATION (CA) 2004-10-21 US disclosed
EP-1037668-A1 TRANSFECTION PARTICLES Boehringer Ingelheim International GmbH (DE) 2000-09-27 EP disclosed
EP-0945138-A1 Transfection particles Université Louis Pasteur de Strasbourg (FR) 1999-09-29 EP disclosed
WO-1999029349-A1 TRANSFECTION PARTICLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 1999-06-17 WO disclosed
EP-0052870-A1 Amino acid derivatives and processes for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-02 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-20040209921-A1 CXCR4 chemokine receptor binding comounds CXCR4, CXCR1, CXCR3 PPARA 1169/4885PPARG 1170/4885PPARD 1173/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 PPARA 871/4885PPARG 880/4885PPARD 1246/4885

“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.