SCHEMBL13323958

SCHEMBL13323958

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.51
ECE1 P42892 6/20 0.48
MME P08473 5/20 0.48
CYP1A2 P05177 1/20 0.47
FOLH1 Q04609 2/20 0.47
CAPN1 P07384 1/20 0.46
PSMB8 P28062 1/20 0.46
PSMB9 P28065 1/20 0.46
PSMB5 P28074 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44

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
SCHEMBL13323941 0.88 ACE (0.56) CTSKECE1MMECAPN1CTSS
SCHEMBL13323970 0.88 MME (0.55) CTSKECE1MMEFOLH1SIRT2
SCHEMBL13323971 0.88 MME (0.48) CTSKECE1MMEFOLH1CAPN1
SCHEMBL13323948 0.87 CTSB (0.57) CTSKECE1MMEPSMB5CTSS
SCHEMBL13324000 0.87 CTSK (0.53) CTSKECE1MMECYP1A2FOLH1
SCHEMBL13323943 0.87 MME (0.56) CTSKECE1MMECTSL
SCHEMBL29372806 0.87 MME (0.61) CTSKECE1MMEFOLH1CAPN1
SCHEMBL13323973 0.85 SIRT2 (0.59) ECE1MMEFOLH1SIRT2SIRT1
SCHEMBL13323962 0.85 MME (0.54) CTSKECE1MMECTSSCTSL
SCHEMBL10871797 0.84 MME (0.63) CTSKECE1MMEFOLH1

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 CTSK 1427/4885ECE1 3200/4885MME 2392/4885

“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.