SCHEMBL21786911

SCHEMBL21786911

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.60
CTSK P43235 5/20 0.59
CTSB P07858 2/20 0.59
CASP3 P42574 1/20 0.57
CAPN1 P07384 2/20 0.55
PTPN1 P18031 1/20 0.54
PSMB1 P20618 1/20 0.54
CTSL P07711 4/20 0.53
KCNA5 P22460 1/20 0.53
CTSS P25774 2/20 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
SCHEMBL21786912 1.00 REN (0.60) RENCTSKCTSBCASP3CAPN1
SCHEMBL19586026 0.93 REN (0.62) RENCTSKCTSBCASP3CAPN1
SCHEMBL19586943 0.93 REN (0.62) RENCTSKCTSBCASP3CAPN1
SCHEMBL10720680 0.91 CTSK (0.60) RENCTSKCTSBCASP3CAPN1
SCHEMBL29530699 0.91 CTSK (0.64) RENCTSKCTSBCASP3CAPN1
SCHEMBL19606091 0.91 CTSK (0.64) RENCTSKCTSBCASP3CAPN1
SCHEMBL10722584 0.90 CTSK (0.60) RENCTSKCTSBCASP3CAPN1
SCHEMBL14838006 0.90 CTSK (0.60) RENCTSKCTSBCASP3CAPN1
SCHEMBL10722573 0.87 REN (0.65) RENCTSKCTSBCASP3CAPN1
SCHEMBL10722579 0.87 REN (0.65) RENCTSKCTSBCASP3CAPN1

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 REN 894/4885CTSK 1215/4885CTSB 583/4885
US-20200071354-A1 PEPTIDOMIMETICS FOR THE TREATMENT OF NOROVIRUS INFECTION VIP, HAVCR2, NGLY1 REN 894/4885CTSK 1215/4885CTSB 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.