SCHEMBL30890858

SCHEMBL30890858

CC(C)[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.56
BACE2 Q9Y5Z0 2/20 0.56
MME P08473 1/20 0.55
CTSD P07339 2/20 0.54
FNTA P49354 1/20 0.53
FNTB P49356 1/20 0.53
CASP3 P42574 4/20 0.53
CASP8 Q14790 4/20 0.53
CASP1 P29466 3/20 0.53
CASP7 P55210 3/20 0.53
OPRD1 P41143 1/20 0.52

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
SCHEMBL29500570 1.00 BACE1 (0.56) BACE1BACE2MMECTSDFNTA
SCHEMBL29415207 0.93 BACE1 (0.62) BACE1BACE2CTSDOPRD1
SCHEMBL29530803 0.92 BACE1 (0.56) BACE1BACE2CTSDFNTAFNTB
SCHEMBL30974146 0.92 MME (0.54) BACE1BACE2MMECTSDOPRD1
SCHEMBL29350741 0.91 FNTA (0.56) BACE1BACE2MMECTSDFNTA
SCHEMBL31206305 0.90 BACE1 (0.62) BACE1BACE2CTSDFNTAFNTB
SCHEMBL17305518 0.90 BACE1 (0.62) BACE1BACE2CTSDFNTAFNTB
SCHEMBL31199120 0.90 BACE1 (0.54) BACE1BACE2MMECTSDOPRD1
SCHEMBL2878352 0.90 MME (0.66) MME
SCHEMBL29498365 0.90 MME (0.66) MME

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
CN-112912383-B Peptide compounds 优拓制药公司 2024-07-05 CN disclosed
US-11981755-B2 Peptide compounds ULTUPHARMA AB (SE) 2024-05-14 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-11981755-B2 Peptide compounds VIP, NGLY1, TLR5 BACE1 2998/4885BACE2 2728/4885MME 45/4885

“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.