SCHEMBL22457523

SCHEMBL22457523

CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.44
CTSD P07339 5/20 0.43
CTSE P14091 5/20 0.43
BACE1 P56817 2/20 0.43
ACE P12821 4/20 0.42
KLK7 P49862 1/20 0.41
TACR1 P25103 1/20 0.41
CMA1 P23946 5/20 0.39
FKBP1A P62942 2/20 0.38

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
SCHEMBL22457752 0.97 KLK5 (0.47) KLK5CTSDCTSEBACE1ACE
SCHEMBL22457522 0.89 ACE (0.51) ACECMA1
SCHEMBL24435887 0.86 ACE (0.50) KLK5CTSDCTSEBACE1ACE
SCHEMBL22457757 0.86 ACE (0.55) ACECMA1
SCHEMBL6438312 0.86 ACE (0.55) ACECMA1
SCHEMBL7377534 0.83 LTA4H (0.52) ACECMA1
SCHEMBL22457742 0.79 REN (0.40)
SCHEMBL1401501 0.78 ACE (0.42) KLK5ACETACR1CMA1
SCHEMBL28510341 0.77 ACE (0.58) ACE
SCHEMBL28510337 0.77 ACE (0.58) ACE

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-20220153777-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND NISSAN CHEMICAL CORPORATION (JP) 2022-05-19 US disclosed
WO-2020189621-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND 日産化学株式会社 2020-09-24 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-20220153777-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND NGLY1, NPPA, NPEPPS KLK5 1276/4885CTSD 858/4885CTSE 1571/4885

“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.