SCHEMBL13324006

SCHEMBL13324006

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.57
ECE1 P42892 2/20 0.57
FOLH1 Q04609 6/20 0.56
CASP1 P29466 2/20 0.52
CASP3 P42574 2/20 0.52
CASP9 P55211 2/20 0.52
CASP7 P55210 1/20 0.52
ACE P12821 2/20 0.49
SIRT5 Q9NXA8 1/20 0.49
CTSL P07711 1/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.48

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
SCHEMBL9697579 0.92 MME (0.65) MMEECE1FOLH1CASP1CASP3
SCHEMBL13323995 0.91 MME (0.59) MMEECE1FOLH1CASP1CASP3
SCHEMBL3054279 0.91 MME (0.59) MMEECE1FOLH1CASP1CASP3
SCHEMBL13324008 0.91 MME (0.50) MMEECE1FOLH1ACECTSL
SCHEMBL3037401 0.91 ACE (0.58) MMEECE1ACECTSL
SCHEMBL5689557 0.91 ACE (0.58) MMEECE1ACECTSL
SCHEMBL13739666 0.91 ACE (0.58) MMEECE1ACECTSL
SCHEMBL13324013 0.89 ACE (0.61) MMEECE1FOLH1ACECTSL
SCHEMBL13324001 0.87 MME (0.56) MMEECE1CASP1CASP3CASP9
SCHEMBL5827209 0.87 FOLH1 (0.65) MMEECE1FOLH1CASP1CASP3

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 MME 2392/4885ECE1 3200/4885FOLH1 609/4885

“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.