SCHEMBL1025258

SCHEMBL1025258

CC(C)(C)OC(=O)N[C@@H](CC(=O)C[N+](=O)[O-])C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.50
KLK7 P49862 1/20 0.48
KLK5 Q9Y337 1/20 0.48
PPARG P37231 2/20 0.48
CACNA1B Q00975 5/20 0.48
CTSS P25774 4/20 0.47
SYK P43405 1/20 0.47
CTSK P43235 3/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
TACR1 P25103 1/20 0.46
CPA1 P15085 3/20 0.44
ACE P12821 1/20 0.44

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
SCHEMBL4848380 1.00 PPARA (0.50) PPARAKLK7KLK5PPARGCACNA1B
SCHEMBL8632310 0.84 PPARA (0.53) PPARAKLK7KLK5PPARGCACNA1B
SCHEMBL5033775 0.84 PPARA (0.58) PPARAKLK7KLK5PPARGCACNA1B
SCHEMBL3004720 0.84 PPARA (0.58) PPARAKLK7KLK5PPARGCACNA1B
SCHEMBL1093029 0.84 PPARA (0.58) PPARAKLK7KLK5PPARGCACNA1B
SCHEMBL19104158 0.83 CACNA1B (0.53) PPARAKLK7KLK5PPARGCACNA1B
SCHEMBL4370045 0.83 KLK5 (0.65) PPARAKLK7KLK5PPARGCACNA1B
SCHEMBL14211452 0.83 PPARA (0.57) PPARAKLK7KLK5PPARGCACNA1B
SCHEMBL14002405 0.83 CPA1 (0.51) CTSLCTSBTACR1CPA1ACE
SCHEMBL4854926 0.83 PPARA (0.50) PPARAKLK7KLK5PPARGCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 EP disclosed
US-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 US disclosed
US-20070129288-A1 Antibacterial amide macrocycles BAYER HEALTHCARE AG (DE) 2007-06-07 US disclosed
US-20070129288-A1 Antibacterial amide macrocycles BAYER HEALTHCARE AG (DE) 2007-06-07 US disclosed
EP-1515983-B1 ANTIBACTERIAL AMIDE MACROCYCLES AICURIS GMBH & CO KG (DE) 2007-02-21 EP disclosed
EP-1515983-B1 ANTIBACTERIAL AMIDE MACROCYCLES AICURIS GMBH & CO KG (DE) 2007-02-21 EP disclosed
US-20060258571-A1 Antibacterial ester macrocycles AICURIS GMBH & CO. KG (DE) 2006-11-16 US disclosed
US-20050256037-A1 Antibacterial amide macrocyles BAYER HEALTHCARE AG (DE) 2005-11-17 US disclosed
WO-2005033129-A1 ANTIBACTERIAL AMIDE MACROCYCLES BAYER HEALTHCARE AG (DE) 2005-04-14 WO disclosed
EP-1515983-A1 ANTIBACTERIAL AMIDE MACROCYCLES Bayer HealthCare AG (DE) 2005-03-23 EP disclosed
WO-2003106480-A1 ANTIBACTERIAL AMIDE MACROCYCLES BAYER HEALTHCARE AG (DE) 2003-12-24 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 (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-20070129288-A1 Antibacterial amide macrocycles AADAC, AAAS, MRPL21 PPARA 343/4885KLK7 3573/4885KLK5 2807/4885
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC PPARA 169/4885KLK7 3789/4885KLK5 2790/4885
US-20050256037-A1 Antibacterial amide macrocyles AADAC, PAM, NOD2 PPARA 80/4885KLK7 3806/4885KLK5 3332/4885
US-20060258571-A1 Antibacterial ester macrocycles TECR, MRPL21, CYP51A1 PPARA 149/4885KLK7 2819/4885KLK5 2761/4885

“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.