SCHEMBL1024723

SCHEMBL1024723

CC(C)(C)N(C(=O)O)[C@@H](CCCCN)CC(=O)NCCNC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.47
CPB2 Q96IY4 1/20 0.47
DPP8 Q6V1X1 2/20 0.46
DPP7 Q9UHL4 2/20 0.46
SLC1A3 P43003 1/20 0.44
SLC1A1 P43005 1/20 0.44
FOLH1 Q04609 4/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
ANPEP P15144 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
SIRT2 Q8IXJ6 2/20 0.42
SIRT1 Q96EB6 2/20 0.42
SIRT3 Q9NTG7 2/20 0.42
LMNA P02545 1/20 0.42
EPOR P19235 1/20 0.42
DPP4 P27487 1/20 0.42
DPP9 Q86TI2 1/20 0.42

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
Acetic Acid SCHEMBL4856558 0.98 CPB1 (0.46) CPB1CPB2DPP8DPP7SLC1A3
SCHEMBL4856705 0.85 SYK (0.48) DPP8DPP7SLC1A3SLC1A1FOLH1
SCHEMBL1023223 0.82 HTT (0.46) CPB1CPB2DPP8DPP7SLC1A3
Hydrochloric Acid SCHEMBL4848974 0.81 HTT (0.46) CPB1CPB2DPP8DPP7SLC1A3
Acetic Acid SCHEMBL4881411 0.77 CPB1 (0.52) CPB1CPB2DPP8DPP7SLC1A3
SCHEMBL20480544 0.77 SMN1; SMN2 (0.50) DPP8DPP7SLC1A3SLC1A1HTT
SCHEMBL4850916 0.76 SYK (0.52) DPP8DPP7SLC1A3SLC1A1FOLH1
SCHEMBL22115987 0.75 SMN1; SMN2 (0.50) DPP8DPP7SLC1A3SLC1A1FOLH1
SCHEMBL1024135 0.74 CTSS (0.41)
SCHEMBL20480044 0.74 SMN1; SMN2 (0.51) SLC1A3SLC1A1HTTMAPTSMN1; SMN2

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 CPB1 2819/4885CPB2 2025/4885DPP8 435/4885

“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.