SCHEMBL31233933

SCHEMBL31233933

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](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.61
▸ CALCRL Q16602 1/20 0.56
▸ NTSR1 P30989 12/20 0.55
▸ NTSR2 O95665 11/20 0.55
▸ SORT1 Q99523 9/20 0.55
▸ F2 P00734 1/20 0.53

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
SCHEMBL31233948 1.00 SLC6A2 (0.61) SLC6A2CALCRLNTSR1NTSR2SORT1
SCHEMBL31233911 0.95 SLC6A2 (0.63) SLC6A2CALCRLNTSR1NTSR2SORT1
SCHEMBL31233798 0.95 SLC6A2 (0.63) SLC6A2CALCRLNTSR1NTSR2SORT1
SCHEMBL29465928 0.94 NTSR1 (0.60) SLC6A2NTSR1NTSR2SORT1
SCHEMBL29796754 0.94 NTSR1 (0.60) SLC6A2NTSR1NTSR2SORT1
SCHEMBL31086923 0.94 NTSR1 (0.60) SLC6A2NTSR1NTSR2SORT1
SCHEMBL31233755 0.93 SLC6A2 (0.64) SLC6A2CALCRLNTSR1NTSR2SORT1
SCHEMBL30092566 0.92 NTSR1 (0.59) SLC6A2NTSR1NTSR2SORT1F2
SCHEMBL29796613 0.89 NTSR1 (0.60) SLC6A2NTSR1NTSR2SORT1
SCHEMBL29796500 0.89 NTSR1 (0.60) SLC6A2NTSR1NTSR2SORT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12171734-B2 Pathogenic bacteria SPOREGEN LIMITED (GB) 2024-12-24 — — 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-12171734-B2 Pathogenic bacteria CLPP, CLPX, ANTXR2 SLC6A2 3807/4885CALCRL 3111/4885NTSR1 3343/4885

“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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