SCHEMBL3103440

SCHEMBL3103440

O=C(N[C@@H]1C[C@@H](C(=O)O)N(C(=O)CS)C1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.56
AGTR2 P50052 4/20 0.47
ACE P12821 5/20 0.47
ANPEP P15144 4/20 0.46
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL2399455 0.89 CARM1 (0.49) MMP2ACECTSLCTSBCTSK
SCHEMBL2525219 0.89 CARM1 (0.49) MMP2ACECTSLCTSBCTSK
SCHEMBL2525161 0.88 MMP2 (0.57) MMP2AGTR2ACEANPEPCTSL
SCHEMBL2525166 0.88 MMP2 (0.57) MMP2AGTR2ACEANPEPCTSL
Danegaptide SCHEMBL29094836 0.87 MMP2 (0.56) MMP2AGTR2ACEANPEPCTSL
Danegaptide SCHEMBL2399763 0.87 MMP2 (0.56) MMP2AGTR2ACEANPEPCTSL
Danegaptide SCHEMBL25694359 0.87 MMP2 (0.56) MMP2AGTR2ACEANPEPCTSL
Danegaptide SCHEMBL2399760 0.87 MMP2 (0.56) MMP2AGTR2ACEANPEPCTSL
Danegaptide SCHEMBL20547963 0.87 MMP2 (0.56) MMP2AGTR2ACEANPEPCTSL
Danegaptide SCHEMBL2521817 0.87 MMP2 (0.56) MMP2AGTR2ACEANPEPCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2013-08-29 US disclosed
US-8431540-B2 Modified lysine-mimetic compounds ZEALAND PHARMA A/S (DK) 2013-04-30 US disclosed
US-20120245106-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2012-09-27 US disclosed
US-20100249206-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS Zealand Pharma A/S and Wyeth 2010-09-30 US disclosed
US-7622496-B2 antiarrhythmia agents; 1-(2-Amino-acetyl)-4-(benzoylamino)-pyrrolidine-2-carboxylic acid; desirable bioavailability properties ZEALAND PHARMA A/S (DK) 2009-11-24 US disclosed
US-20070149460-A1 Modified lysine-mimetic compounds ZEALAND PHARMA A/S (DK) 2007-06-28 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 (4 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-20120245106-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 MMP2 1902/4885AGTR2 715/4885ACE 863/4885
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 MMP2 1902/4885AGTR2 715/4885ACE 863/4885
US-20100249206-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 MMP2 1902/4885AGTR2 715/4885ACE 863/4885
US-20070149460-A1 Modified lysine-mimetic compounds MYLK2, KCNN2, KCNN1 MMP2 1902/4885AGTR2 715/4885ACE 863/4885

“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.