SCHEMBL10129680

SCHEMBL10129680

CC(C)C[C@H](NC(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.54
NPY1R P25929 1/20 0.54
NPY2R P49146 1/20 0.54
NPY4R P50391 1/20 0.54
LTA4H P09960 1/20 0.52
BACE1 P56817 3/20 0.51
MME P08473 3/20 0.51
ACE P12821 3/20 0.51
CPA1 P15085 2/20 0.51
ACE2 Q9BYF1 2/20 0.51
BACE2 Q9Y5Z0 1/20 0.51

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
SCHEMBL17948645 0.94 LTA4H (0.58) NPY1RNPY2RNPY4RLTA4HBACE1
Hydrochloric Acid SCHEMBL19741503 0.92 LTA4H (0.57) NPY1RNPY2RNPY4RLTA4HBACE1
Hydrochloric Acid SCHEMBL19741504 0.92 LTA4H (0.57) NPY1RNPY2RNPY4RLTA4HBACE1
SCHEMBL22503664 0.91 ACE (0.59) MMEACECPA1ACE2
SCHEMBL8267315 0.89 CTSL (0.52) NPY1RNPY2RNPY4RLTA4HBACE1
SCHEMBL2628283 0.86 ANPEP (0.56) MMP3LTA4HBACE1MME
SCHEMBL15581384 0.86 ERAP2 (0.55) MMP3LTA4HMMECPA1
SCHEMBL17706116 0.85 LTA4H (0.61) MMP3LTA4HMME
SCHEMBL29775566 0.85 LTA4H (0.58) NPY1RNPY2RNPY4RLTA4HBACE1
SCHEMBL8269340 0.84 MME (0.55) NPY1RNPY2RNPY4RLTA4HMME

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-20120101025-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 US disclosed
US-20080090785-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2008-04-17 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 (2 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-20080090785-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents ANPEP, DNPEP, CPN1 MMP3 534/4885NPY1R 2267/4885NPY2R 2732/4885
US-20120101025-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 MMP3 407/4885NPY1R 2925/4885NPY2R 3258/4885

“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.