SCHEMBL21137261

SCHEMBL21137261

C#C[C@@H]1CN(C(=O)C(NC(=O)c2ccc(-c3nc(N4CCN(C)CC4)sc3F)cc2)C2CCCC2)[C@@H]2C(=O)CO[C@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 1.00
CTSL P07711 10/20 1.00
CTSS P25774 10/20 1.00
CTSV O60911 1/20 0.48

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
SCHEMBL15241306 1.00 CTSK (1.00) CTSKCTSLCTSSCTSV
SCHEMBL15241298 1.00 CTSK (1.00) CTSKCTSLCTSSCTSV
SCHEMBL11925968 1.00 CTSK (1.00) CTSKCTSLCTSSCTSV
SCHEMBL1169168 0.89 CTSK (0.81) CTSKCTSLCTSSCTSV
SCHEMBL12865568 0.89 CTSK (0.82) CTSKCTSLCTSS
SCHEMBL21137232 0.88 CTSK (1.00) CTSKCTSLCTSS
SCHEMBL16485886 0.88 CTSK (1.00) CTSKCTSLCTSS
SCHEMBL22266813 0.88 CTSK (0.90) CTSKCTSLCTSS
SCHEMBL11925963 0.88 CTSK (1.00) CTSKCTSLCTSS
SCHEMBL1146979 0.88 CTSK (1.00) CTSKCTSLCTSS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312693-B2 Protease inhibitors MEDIVIR AB (SE) 2022-04-26 US disclosed
US-20210017140-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2021-01-21 US disclosed
US-10329266-B2 Protease inhibitors MEDIVIR AB (SE) 2019-06-25 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 (3 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-11312693-B2 Protease inhibitors CTSK, CTSF, CTSS CTSK 1/4885CTSL 8/4885CTSS 3/4885
US-10329266-B2 Protease inhibitors CTSK, CTSF, CTSS CTSK 1/4885CTSL 8/4885CTSS 3/4885
US-20210017140-A1 PROTEASE INHIBITORS CTSK, CTSF, CTSS CTSK 1/4885CTSL 8/4885CTSS 3/4885

“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.