SCHEMBL21786579

SCHEMBL21786579

CC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.41
▸ CTSK P43235 2/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ ITGAV P06756 1/20 0.40
▸ ITGB6 P18564 1/20 0.40

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
SCHEMBL24754818 0.92 CTSS (0.40) CTSSCTSKIDO1ITGAVITGB6
SCHEMBL24113318 0.92 CTSS (0.40) CTSSCTSKIDO1ITGAVITGB6
SCHEMBL25134723 0.92 CTSS (0.40) CTSSCTSKIDO1ITGAVITGB6
SCHEMBL19586956 0.91 IDO1 (0.50) CTSSCTSKIDO1ITGAVITGB6
SCHEMBL19586958 0.91 IDO1 (0.50) CTSSCTSKIDO1ITGAVITGB6
SCHEMBL19586954 0.91 IDO1 (0.50) CTSSCTSKIDO1ITGAVITGB6
SCHEMBL24584247 0.89 NFKB1 (0.41) CTSSCTSKIDO1
SCHEMBL24754820 0.89 NFKB1 (0.41) CTSSCTSKIDO1
SCHEMBL24963813 0.89 NFKB1 (0.41) CTSSCTSKIDO1
SCHEMBL19606034 0.89 NFKB1 (0.41) CTSSCTSKIDO1

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-11021513-B2 Peptidomimetics for the treatment of norovirus infection EMORY UNIVERSITY (US) 2021-06-01 — — US disclosed
US-20200071354-A1 PEPTIDOMIMETICS FOR THE TREATMENT OF NOROVIRUS INFECTION EMORY UNIVERSITY (US) 2020-03-05 — — 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-11021513-B2 Peptidomimetics for the treatment of norovirus infection VIP, HAVCR2, NGLY1 CTSS 813/4885CTSK 1215/4885IDO1 2265/4885
US-20200071354-A1 PEPTIDOMIMETICS FOR THE TREATMENT OF NOROVIRUS INFECTION VIP, HAVCR2, NGLY1 CTSS 813/4885CTSK 1215/4885IDO1 2265/4885

“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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