SCHEMBL1023797

SCHEMBL1023797

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.47
KLK5 Q9Y337 3/20 0.47
CTSK P43235 3/20 0.46
PPARA Q07869 2/20 0.46
SYK P43405 1/20 0.46
MAPT P10636 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TPSAB1 Q15661 1/20 0.46
CTSS P25774 2/20 0.44
PPARG P37231 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
SCHEMBL1021830 0.87 CTSK (0.50) KLK7KLK5CTSKPPARASYK
Hydrochloric Acid SCHEMBL7974895 0.85 PPARA (0.53) KLK7KLK5CTSKPPARASYK
SCHEMBL1022361 0.85 PRSS1 (0.52) KLK7KLK5CTSKSYKPRSS1
SCHEMBL8955197 0.84 PRSS1 (0.55) KLK7KLK5CTSKSYKPRSS1
SCHEMBL27589883 0.84 PRSS1 (0.55) KLK7KLK5CTSKSYKPRSS1
SCHEMBL3820597 0.84 KLK7 (0.50) KLK7KLK5CTSKPPARASYK
SCHEMBL375888 0.84 KLK7 (0.50) KLK7KLK5CTSKPPARASYK
SCHEMBL7511111 0.83 KLK7 (0.53) KLK7KLK5CTSKPPARASYK
Hydrochloric Acid SCHEMBL26119693 0.82 KLK7 (0.52) KLK7KLK5CTSKPPARASYK
SCHEMBL5196524 0.81 TPSAB1 (0.45) SYKMAPTPRSS1PRSS2PRSS3

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC KLK7 3789/4885KLK5 2790/4885CTSK 127/4885

“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.