SCHEMBL21772505

SCHEMBL21772505

CC(C)C[C@H](NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.57
▸ CAPN1 P07384 1/20 0.57
▸ CTSB P07858 4/20 0.56
▸ CTSK P43235 4/20 0.56
▸ CTSS P25774 1/20 0.56
▸ CTSF Q9UBX1 1/20 0.56
▸ REN P00797 1/20 0.51

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
SCHEMBL21772506 1.00 CTSL (0.57) CTSLCAPN1CTSBCTSKCTSS
SCHEMBL29530534 0.96 CTSL (0.56) CTSLCAPN1CTSBCTSKCTSS
SCHEMBL19605947 0.96 CTSL (0.56) CTSLCAPN1CTSBCTSKCTSS
SCHEMBL19606040 0.96 CTSL (0.56) CTSLCAPN1CTSBCTSKCTSS
SCHEMBL29530339 0.96 CTSL (0.56) CTSLCAPN1CTSBCTSKCTSS
SCHEMBL22875604 0.95 CTSL (0.63) CTSLCAPN1CTSBCTSKCTSS
SCHEMBL21772510 0.93 CTSL (0.51) CTSLCAPN1CTSB
SCHEMBL21772509 0.93 CTSL (0.51) CTSLCAPN1CTSB
SCHEMBL21786582 0.93 CTSL (0.53) CTSLCAPN1CTSBCTSKCTSS
SCHEMBL29530148 0.93 CTSL (0.53) CTSLCAPN1CTSBCTSKCTSS

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-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 (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-20200071354-A1 PEPTIDOMIMETICS FOR THE TREATMENT OF NOROVIRUS INFECTION VIP, HAVCR2, NGLY1 CTSL 280/4885CAPN1 404/4885CTSB 583/4885

“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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