SCHEMBL13324010

SCHEMBL13324010

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.61
SIRT1 Q96EB6 4/20 0.61
CAPN1 P07384 1/20 0.58
CAPN2 P17655 1/20 0.58
FOLH1 Q04609 3/20 0.56
ITGB3 P05106 1/20 0.55
ITGAV P06756 1/20 0.55
CTSL P07711 1/20 0.55
CTSS P25774 1/20 0.55
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP12 P39900 1/20 0.53
MMP14 P50281 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
CTSK P43235 1/20 0.51
TGM2 P21980 1/20 0.51

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
SCHEMBL6950440 0.89 FOLH1 (0.64) SIRT2SIRT1CAPN1CAPN2FOLH1
SCHEMBL13324011 0.89 SIRT2 (0.53) SIRT2SIRT1CAPN1CAPN2FOLH1
SCHEMBL14077190 0.88 CAPN1 (0.55) SIRT2SIRT1CAPN1CAPN2FOLH1
SCHEMBL13323984 0.87 SIRT2 (0.50) SIRT2SIRT1CAPN1CAPN2FOLH1
SCHEMBL7574171 0.86 FOLH1 (0.54) SIRT2SIRT1CAPN1CAPN2FOLH1
SCHEMBL13324029 0.86 SIRT2 (0.49) SIRT2SIRT1CAPN1CAPN2FOLH1
SCHEMBL329038 0.85 CTSK (0.66) SIRT2SIRT1CTSLCTSSCTSK
SCHEMBL265461 0.85 CTSK (0.66) SIRT2SIRT1CTSLCTSSCTSK
SCHEMBL265783 0.85 CTSK (0.66) SIRT2SIRT1CTSLCTSSCTSK
SCHEMBL23519310 0.85 SIRT2 (0.81) SIRT2SIRT1FOLH1SIRT3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012153125-A1 NOVEL COMPOUNDS AND METHODS FOR USE IN MEDICINE ASTON UNIVERSITY (GB) 2012-11-15 WO disclosed
US-7723307-B2 Amino acid derivatives and pharmaceutical uses thereof ASTON UNIVERSITY (GB) 2010-05-25 US disclosed
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
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.