SCHEMBL13323973

SCHEMBL13323973

CCCCCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)C[S+](C)C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 14/20 0.59
SIRT1 Q96EB6 10/20 0.59
CTSL P07711 1/20 0.56
CTSS P25774 1/20 0.56
MME P08473 1/20 0.54
ECE1 P42892 1/20 0.54
SIRT3 Q9NTG7 6/20 0.53
FOLH1 Q04609 1/20 0.50

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
SCHEMBL13323970 0.90 MME (0.55) SIRT2SIRT1CTSLCTSSMME
SCHEMBL13323943 0.88 MME (0.56) CTSLMMEECE1
SCHEMBL13323971 0.88 MME (0.48) SIRT2SIRT1CTSLCTSSMME
SCHEMBL13323941 0.88 ACE (0.56) CTSLCTSSMMEECE1
SCHEMBL13323984 0.88 SIRT2 (0.50) SIRT2SIRT1CTSLCTSSMME
SCHEMBL14077191 0.87 SIRT2 (0.60) SIRT2SIRT1CTSLCTSSMME
SCHEMBL13323947 0.86 CTSL (0.57) CTSLCTSSMMEECE1
SCHEMBL13323958 0.85 CTSK (0.51) SIRT2SIRT1CTSLCTSSMME
SCHEMBL13323962 0.85 MME (0.54) CTSLCTSSMMEECE1
SCHEMBL11308449 0.84 SIRT2 (0.74) SIRT2SIRT1CTSLCTSSMME

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 2314/4885CTSL 2160/4885

“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.