SCHEMBL13324029

SCHEMBL13324029

CCCNC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)CS(C)(C)Br)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.49
SIRT1 Q96EB6 5/20 0.49
CAPN1 P07384 1/20 0.48
CAPN2 P17655 1/20 0.48
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
CASP1 P29466 1/20 0.44
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
CASP9 P55211 1/20 0.44
CTSK P43235 1/20 0.44
FOLH1 Q04609 1/20 0.44
MME P08473 1/20 0.44
ECE1 P42892 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43

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
SCHEMBL13324011 0.89 SIRT2 (0.53) SIRT2SIRT1CAPN1CAPN2CTSL
SCHEMBL13324027 0.88 CASP1 (0.55) SIRT2SIRT1CTSLCTSSCASP1
SCHEMBL14077190 0.86 CAPN1 (0.55) SIRT2SIRT1CAPN1CAPN2CTSL
SCHEMBL13324016 0.86 MME (0.54) CTSLCASP1CASP3CASP7CASP9
SCHEMBL13324023 0.86 ACE (0.54) CAPN1CTSLCTSSCTSK
SCHEMBL13324028 0.86 PSMB5 (0.47) SIRT2SIRT1CAPN1CTSLCASP1
SCHEMBL13324010 0.86 SIRT2 (0.61) SIRT2SIRT1CAPN1CAPN2CTSL
SCHEMBL13323984 0.86 SIRT2 (0.50) SIRT2SIRT1CAPN1CAPN2CTSL
SCHEMBL13324032 0.84 ACE (0.57) SIRT2SIRT1CTSLCTSSFOLH1
SCHEMBL13324026 0.83 CTSK (0.49) SIRT2SIRT1CAPN1CASP1CASP3

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 SIRT2 2625/4885SIRT1 2314/4885CAPN1 3217/4885

“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.