SCHEMBL21786578

SCHEMBL21786578

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.66
CAPN1 P07384 2/20 0.66
CTSL P07711 6/20 0.63
CTSK P43235 6/20 0.60
HTRA1 Q92743 1/20 0.59
CTSB P07858 2/20 0.58
CTSS P25774 3/20 0.57
REN P00797 1/20 0.57

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
SCHEMBL931659 0.91 CAPN1 (0.69) CAPN1CTSLCTSKHTRA1CTSB
SCHEMBL31705215 0.91 CAPN1 (0.74) PTPN1CAPN1CTSLCTSKHTRA1
SCHEMBL1661924 0.91 CTSL (0.71) CAPN1CTSLCTSKCTSBCTSS
SCHEMBL1663171 0.91 CTSL (0.71) CAPN1CTSLCTSKCTSBCTSS
SCHEMBL6370513 0.89 CTSL (0.63) CAPN1CTSLCTSKCTSBCTSS
SCHEMBL6276287 0.89 CAPN1 (0.72) CAPN1CTSLCTSKHTRA1CTSB
SCHEMBL6482122 0.89 CAPN1 (0.72) CAPN1CTSLCTSKHTRA1CTSB
SCHEMBL14148469 0.89 CAPN1 (0.72) CAPN1CTSLCTSKHTRA1CTSB
SCHEMBL3383041 0.88 CTSK (0.72) CAPN1CTSLCTSKCTSBCTSS
SCHEMBL608854 0.88 CTSK (0.72) CAPN1CTSLCTSKCTSBCTSS

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 PTPN1 820/4885CAPN1 404/4885CTSL 280/4885
US-20200071354-A1 PEPTIDOMIMETICS FOR THE TREATMENT OF NOROVIRUS INFECTION VIP, HAVCR2, NGLY1 PTPN1 820/4885CAPN1 404/4885CTSL 280/4885

“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.