SCHEMBL29796613

SCHEMBL29796613

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCCN)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(C)C)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 9/20 0.60
▸ NTSR2 O95665 8/20 0.60
▸ SORT1 Q99523 6/20 0.60
▸ SLC6A2 P23975 1/20 0.56
▸ AGTR2 P50052 5/20 0.54
▸ AGTR1 P30556 4/20 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
SCHEMBL29796500 1.00 NTSR1 (0.60) NTSR1NTSR2SORT1SLC6A2AGTR2
SCHEMBL29517484 1.00 NTSR1 (0.60) NTSR1NTSR2SORT1SLC6A2AGTR2
SCHEMBL30784958 0.96 NTSR2 (0.59) NTSR1NTSR2SORT1SLC6A2AGTR2
SCHEMBL29796754 0.95 NTSR1 (0.60) NTSR1NTSR2SORT1SLC6A2
SCHEMBL29465928 0.95 NTSR1 (0.60) NTSR1NTSR2SORT1SLC6A2
SCHEMBL31086923 0.95 NTSR1 (0.60) NTSR1NTSR2SORT1SLC6A2
SCHEMBL29465927 0.95 SLC6A2 (0.62) NTSR1NTSR2SORT1SLC6A2AGTR2
SCHEMBL31233911 0.94 SLC6A2 (0.63) NTSR1NTSR2SORT1SLC6A2AGTR2
SCHEMBL31233798 0.94 SLC6A2 (0.63) NTSR1NTSR2SORT1SLC6A2AGTR2
SCHEMBL31233933 0.89 SLC6A2 (0.61) NTSR1NTSR2SORT1SLC6A2

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-115397264-A Formula for preventing or reducing clostridium difficile infection 孢子原有限公司 2022-11-25 — — CN disclosed
US-20220280579-A1 Formulations for Prevention or Reduction of C. Difficile Infections SPOREGEN LIMITED (GB) 2022-09-08 — — 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-20220280579-A1 Formulations for Prevention or Reduction of C. Difficile Infections SI, FABP2, CRY1 NTSR1 1387/4885NTSR2 1627/4885SORT1 3974/4885

“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.

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