SCHEMBL13324032

SCHEMBL13324032

CS(C)(Br)CC(=O)CCC(NC(=O)C(CCCCN)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.57
ECE1 P42892 3/20 0.56
CPB1 P15086 1/20 0.54
CPB2 Q96IY4 1/20 0.54
SIRT2 Q8IXJ6 3/20 0.52
SIRT1 Q96EB6 3/20 0.52
SIRT3 Q9NTG7 2/20 0.52
TLR2 O60603 2/20 0.49
ITGB3 P05106 4/20 0.48
ITGA2B P08514 4/20 0.48
FOLH1 Q04609 2/20 0.48
MME P08473 2/20 0.47
CTSL P07711 2/20 0.46
CTSS P25774 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
SCHEMBL13324016 0.90 MME (0.54) ACEECE1MMECTSL
SCHEMBL13324027 0.90 CASP1 (0.55) ACEECE1SIRT2SIRT1FOLH1
SCHEMBL13324023 0.88 ACE (0.54) ACECTSLCTSS
SCHEMBL13324013 0.88 ACE (0.61) ACEECE1CPB1CPB2SIRT2
SCHEMBL13324028 0.88 PSMB5 (0.47) ACEECE1SIRT2SIRT1FOLH1
SCHEMBL7286230 0.85 ACE (0.65) ACEECE1CPB1CPB2SIRT2
SCHEMBL29791126 0.85 ACE (0.65) ACEECE1CPB1CPB2SIRT2
SCHEMBL13324026 0.85 CTSK (0.49) ECE1SIRT2SIRT1FOLH1MME
SCHEMBL13324022 0.84 CASP3 (0.55) ACEECE1MMECTSLCTSS
SCHEMBL13324029 0.84 SIRT2 (0.49) ECE1SIRT2SIRT1ITGB3FOLH1

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-7723307-B2 Amino acid derivatives and pharmaceutical uses thereof ASTON UNIVERSITY (GB) 2010-05-25 US disclosed
US-20080200511-A1 Novel Compounds and Methods of Using the Same ASTON UNIVERSITY (GB) 2008-08-21 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-20080200511-A1 Novel Compounds and Methods of Using the Same F3, IL4I1, TPMT ACE 3265/4885ECE1 3200/4885CPB1 1366/4885

“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.