SCHEMBL5689557

SCHEMBL5689557

O=C(CBr)CCC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.58
CTSL P07711 7/20 0.57
TACR1 P25103 2/20 0.57
CTSB P07858 2/20 0.56
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
MME P08473 2/20 0.55
ECE1 P42892 2/20 0.55

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
SCHEMBL3037401 1.00 ACE (0.58) ACECTSLTACR1CTSBCTSS
SCHEMBL13739666 1.00 ACE (0.58) ACECTSLTACR1CTSBCTSS
SCHEMBL13324001 0.96 MME (0.56) ACECTSLTACR1CTSBCTSS
SCHEMBL13324008 0.91 MME (0.50) ACECTSLMMEECE1
SCHEMBL13324006 0.91 MME (0.57) ACECTSLMMEECE1
SCHEMBL7326035 0.91 TACR1 (0.61) CTSLTACR1CTSBCTSSCTSK
SCHEMBL13323995 0.89 MME (0.59) ACECTSLCTSKMMEECE1
SCHEMBL3054279 0.89 MME (0.59) ACECTSLCTSKMMEECE1
SCHEMBL13324040 0.89 TACR1 (0.62) CTSLTACR1CTSBCTSSCTSK
SCHEMBL10397579 0.89 MME (0.67) ACECTSLTACR1CTSBCTSS

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 7 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
EP-1648924-A2 DIPEPTIDE TRANSGLUTAMINASE INHIBITORS AND METHODS OF USING THE SAME The Nottingham Trent University (GB) 2006-04-26 EP disclosed
WO-2004113363-A2 DIPEPTIDE TRANSGLUTAMINASE INHIBITORS AND METHODS OF USING THE SAME THE NOTTINGHAM TRENT UNIVERSITY (GB) 2004-12-29 WO 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 ACE 3265/4885CTSL 2160/4885TACR1 896/4885

“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.