SCHEMBL25878730

SCHEMBL25878730

CC[C@@H](C#N)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](N(C)S(=O)(=O)c1cccc3ccccc13)C(C)(C)C)C2(C)C

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.42
CYP3A4 P08684 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL25878638 0.89 CTSV (0.42) CTSVCYP3A4CTSSCTSK
SCHEMBL25665916 0.87 CTSV (0.61) CTSVCYP3A4CTSSCTSK
SCHEMBL25663689 0.87 CTSV (0.61) CTSVCYP3A4CTSSCTSK
SCHEMBL25877837 0.86 CTSV (0.47) CTSVCYP3A4CTSSCTSK
SCHEMBL25878725 0.83 CTSV (0.42) CTSVCYP3A4CTSSCTSK
SCHEMBL25878184 0.81 CTSV (0.50) CTSVCYP3A4CTSSCTSK
SCHEMBL25878009 0.77 CTSV (0.47) CTSVCYP3A4CTSSCTSK
SCHEMBL25878111 0.77 CTSV (0.47) CTSVCYP3A4CTSSCTSK
SCHEMBL25878044 0.76 CTSV (0.51) CTSVCYP3A4CTSSCTSK
SCHEMBL25664817 0.74 HTR7 (0.44)

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-20230234921-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF ASCLETIS BIOSCIENCE CO., LTD. (CN) 2023-07-27 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-20230234921-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF SERPINB1, CTSV, CTSE CTSV 2/4885CYP3A4 1869/4885CTSS 8/4885

“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.