SCHEMBL12433274

SCHEMBL12433274

NCCCC[C@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.59
ACE P12821 3/20 0.56
ANPEP P15144 1/20 0.55
ERAP2 Q6P179 1/20 0.55
ERAP1 Q9NZ08 1/20 0.55
LTA4H P09960 1/20 0.55
MME P08473 1/20 0.54
ECE1 P42892 1/20 0.54

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
SCHEMBL12511244 1.00 GHSR (0.59) GHSRACEANPEPERAP2ERAP1
SCHEMBL13853026 1.00 GHSR (0.59) GHSRACEANPEPERAP2ERAP1
SCHEMBL12433272 1.00 GHSR (0.59) GHSRACEANPEPERAP2ERAP1
SCHEMBL13852889 0.92 GHSR (0.56) GHSRACEANPEPERAP2ERAP1
SCHEMBL13852890 0.92 GHSR (0.56) GHSRACEANPEPERAP2ERAP1
SCHEMBL7321746 0.88 LTA4H (0.63) ACEANPEPERAP2ERAP1LTA4H
SCHEMBL8248386 0.88 GHSR (0.53) GHSRACEANPEPERAP2ERAP1
SCHEMBL8257540 0.88 GHSR (0.53) GHSRACEANPEPERAP2ERAP1
SCHEMBL13852888 0.86 ERAP2 (0.56) GHSRANPEPERAP2ERAP1
SCHEMBL12433263 0.86 ERAP2 (0.56) GHSRANPEPERAP2ERAP1

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-7981922-B2 Angiotensin I-converting enzyme (ACE) inhibitors UNIVERSITY OF CAPE TOWN (ZA) 2011-07-19 US disclosed
US-20090118351-A1 Angiotensin I-Converting Enzyme (ACE) Inhibitors ANGIODESIGN (UK) LIMITED (GB) 2009-05-07 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-20090118351-A1 Angiotensin I-Converting Enzyme (ACE) Inhibitors ACE, ACE2, DNPEP GHSR 2232/4885ACE 1/4885ANPEP 10/4885

“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.