SCHEMBL8984141

SCHEMBL8984141

CC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.54
KLK7 P49862 1/20 0.52
KLK5 Q9Y337 1/20 0.52
CTSS P25774 4/20 0.51
PPARG P37231 4/20 0.51
SYK P43405 1/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
CTSK P43235 4/20 0.50
ACE P12821 1/20 0.50
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
MAPT P10636 1/20 0.48
PPARD Q03181 2/20 0.47
ALOX15 P16050 1/20 0.46
TLR2 O60603 1/20 0.46
TLR1 Q15399 1/20 0.46

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
SCHEMBL10887447 0.92 PPARA (0.53) PPARAKLK7KLK5CTSSPPARG
SCHEMBL11599337 0.92 PPARA (0.53) PPARAKLK7KLK5CTSSPPARG
SCHEMBL14997847 0.92 PPARA (0.53) PPARAKLK7KLK5CTSSPPARG
SCHEMBL3817109 0.92 PPARA (0.55) PPARAKLK7KLK5CTSSPPARG
SCHEMBL13007476 0.92 PPARA (0.55) PPARAKLK7KLK5CTSSPPARG
SCHEMBL2011835 0.92 PPARA (0.55) PPARAKLK7KLK5CTSSPPARG
SCHEMBL1517760 0.92 PPARA (0.55) PPARAKLK7KLK5CTSSPPARG
SCHEMBL376018 0.92 PPARA (0.61) PPARAKLK7KLK5CTSSPPARG
SCHEMBL2009896 0.92 PPARA (0.61) PPARAKLK7KLK5CTSSPPARG
SCHEMBL428113 0.92 PPARA (0.61) PPARAKLK7KLK5CTSSPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188119-B2 Pyridine derivatives substituted with heterocyclic ring and γ-glutamylamino group, and antifungal agents containing same EISAI R&D MANAGEMENT CO., LTD (JP) 2012-05-29 US disclosed
US-8034898-B2 Methods of collagen imaging Collagen Medical, LLC (US) 2011-10-11 US disclosed
US-20100105737-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND gamma-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-29 US disclosed
US-20080058636-A1 METHODS OF MYOCARDIAL IMAGING EPIX PHARMACEUTICALS, INC. 2008-03-06 US disclosed
US-20080044360-A1 METHODS OF COLLAGEN IMAGING EPIX PHARMACEUTICALS, INC. 2008-02-21 US disclosed
US-20070293656-A1 COLLAGEN BINDING PEPTIDES EPIX PHARMACEUTICALS, INC. 2007-12-20 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 (4 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-20100105737-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND gamma-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME ASNS, ERG28, GLUL PPARA 4236/4885KLK7 4126/4885KLK5 4350/4885
US-20080058636-A1 METHODS OF MYOCARDIAL IMAGING FABP3, TNNI3, TNNT2 PPARA 1968/4885KLK7 998/4885KLK5 1079/4885
US-20080044360-A1 METHODS OF COLLAGEN IMAGING COL14A1, COL2A1, COL1A1 PPARA 2334/4885KLK7 271/4885KLK5 718/4885
US-20070293656-A1 COLLAGEN BINDING PEPTIDES COL14A1, COL2A1, COL1A1 PPARA 2643/4885KLK7 1044/4885KLK5 1541/4885

“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.