SCHEMBL4850576

SCHEMBL4850576

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.50
KLK5 Q9Y337 3/20 0.50
MAPT P10636 1/20 0.49
CTSS P25774 5/20 0.49
CTSK P43235 5/20 0.49
SIRT2 Q8IXJ6 3/20 0.49
SIRT1 Q96EB6 3/20 0.49
CTSL P07711 2/20 0.48
CTSB P07858 1/20 0.46
SIRT3 Q9NTG7 2/20 0.46
AKT1 P31749 1/20 0.46
SYK P43405 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
SCHEMBL29401595 0.90 MAPT (0.53) KLK7KLK5MAPTCTSSCTSK
SCHEMBL1023528 0.88 KLK7 (0.47) KLK7KLK5MAPTCTSSCTSK
SCHEMBL4857149 0.86 MAPT (0.58) KLK7KLK5MAPTCTSSCTSK
SCHEMBL2367207 0.86 KLK7 (0.51) KLK7KLK5MAPTCTSSCTSK
SCHEMBL30902907 0.84 MAPT (0.65) KLK7KLK5MAPTCTSSCTSK
SCHEMBL5996732 0.83 CTSK (0.61) KLK7KLK5MAPTCTSSCTSK
SCHEMBL4884444 0.82 KLK7 (0.53) KLK7KLK5MAPTCTSSSIRT2
SCHEMBL25502674 0.82 MAPT (0.60) KLK7KLK5MAPTCTSSCTSK
SCHEMBL14320294 0.82 SYK (0.57) KLK7KLK5MAPTCTSSCTSK
SCHEMBL14320293 0.82 SYK (0.57) KLK7KLK5MAPTCTSSCTSK

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 2 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

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 2790/4885MAPT 4356/4885

“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.