SCHEMBL1023528

SCHEMBL1023528

CC(C)(C)OC(=O)N[C@@H](CCCNC(=N)NC(=O)OCc1ccccc1)C(=O)NCCN(Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.47
KLK5 Q9Y337 3/20 0.47
SIRT2 Q8IXJ6 5/20 0.46
MAPT P10636 1/20 0.46
CTSS P25774 4/20 0.45
CTSK P43235 2/20 0.45
SIRT1 Q96EB6 4/20 0.45
SIRT3 Q9NTG7 3/20 0.45
CTSL P07711 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
SCHEMBL4852363 0.92 KLK7 (0.54) KLK7KLK5SIRT2MAPTCTSS
SCHEMBL1021681 0.88 KLK7 (0.51) KLK7KLK5SIRT2MAPTCTSS
SCHEMBL4850576 0.88 KLK7 (0.50) KLK7KLK5SIRT2MAPTCTSS
SCHEMBL1021946 0.86 CTSS (0.51) KLK7KLK5SIRT2MAPTCTSS
SCHEMBL29401595 0.85 MAPT (0.53) KLK7KLK5SIRT2MAPTCTSS
SCHEMBL1024654 0.84 KLK7 (0.49) KLK7KLK5SIRT2MAPTCTSS
SCHEMBL2367207 0.82 KLK7 (0.51) KLK7KLK5SIRT2MAPTCTSS
SCHEMBL4857149 0.80 MAPT (0.58) KLK7KLK5SIRT2MAPTCTSS
SCHEMBL1023417 0.79 CTSS (0.54) CTSSCTSKCTSL
SCHEMBL3951637 0.79 MAPT (0.51) KLK7KLK5MAPTCTSK

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 2790/4885SIRT2 115/4885

“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.