SCHEMBL4854926

SCHEMBL4854926

CC(C)(C)OC(=O)NC(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
SYK P43405 1/20 0.50
CTSS P25774 4/20 0.47
PPARG P37231 2/20 0.46
CTSL P07711 5/20 0.46
CTSK P43235 4/20 0.46
CTSB P07858 4/20 0.46
ATM Q13315 1/20 0.45
POLB P06746 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
KLK7 P49862 1/20 0.44
KLK5 Q9Y337 1/20 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
SCHEMBL1022397 1.00 PPARA (0.50) PPARASYKCTSSPPARGCTSL
SCHEMBL14608213 1.00 PPARA (0.50) PPARASYKCTSSPPARGCTSL
SCHEMBL14002406 0.84 ITGA4 (0.43) CTSLCTSB
SCHEMBL12214454 0.83 CTSK (0.64) PPARACTSSCTSLCTSKCTSB
SCHEMBL12873002 0.83 CTSK (0.64) PPARACTSSCTSLCTSKCTSB
SCHEMBL13519505 0.83 CTSK (0.64) PPARACTSSCTSLCTSKCTSB
SCHEMBL1025258 0.83 PPARA (0.50) PPARASYKCTSSPPARGCTSL
SCHEMBL4848380 0.83 PPARA (0.50) PPARASYKCTSSPPARGCTSL
SCHEMBL15779329 0.82 CTSK (0.40) PPARACTSSPPARGCTSLCTSK
SCHEMBL6814282 0.81 PPARA (0.44) PPARACTSSPPARGCTSLCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 343/4885SYK 3831/4885CTSS 295/4885
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC PPARA 169/4885SYK 3060/4885CTSS 107/4885
US-20050256037-A1 Antibacterial amide macrocyles AADAC, PAM, NOD2 PPARA 80/4885SYK 3666/4885CTSS 99/4885
US-20060258571-A1 Antibacterial ester macrocycles TECR, MRPL21, CYP51A1 PPARA 149/4885SYK 1443/4885CTSS 480/4885

“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.