SCHEMBL9909844

SCHEMBL9909844

COC1(OC)CO[C@@H]2[C@H](Cl)CN(C(=O)[C@H](CC(C)C)NC(=O)c3ccc(-c4csc(N5CCN(C)CC5)n4)cc3)[C@@H]21

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.63
CTSS P25774 9/20 0.62
CTSL P07711 7/20 0.62
CTSB P07858 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
SCHEMBL4725616 0.92 CTSK (0.63) CTSKCTSSCTSLCTSB
SCHEMBL21137229 0.91 CTSK (0.74) CTSKCTSSCTSLCTSB
SCHEMBL11925974 0.91 CTSK (0.74) CTSKCTSSCTSLCTSB
SCHEMBL21137230 0.91 CTSK (0.74) CTSKCTSSCTSLCTSB
SCHEMBL19633919 0.89 CTSK (0.74) CTSKCTSSCTSLCTSB
SCHEMBL11925971 0.89 CTSK (0.74) CTSKCTSSCTSLCTSB
SCHEMBL8109742 0.88 CTSK (0.54) CTSKCTSSCTSL
SCHEMBL8107408 0.88 CTSK (0.54) CTSKCTSSCTSL
SCHEMBL1169140 0.87 CTSK (0.48) CTSKCTSSCTSLCTSB
SCHEMBL9909674 0.87 CTSK (0.47) CTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167507-B1 Cysteine protease inhibitors MEDIVIR AB (SE) 2016-03-02 EP disclosed
US-8466158-B2 Cysteine protease inhibitors MEDIVIR AB (SE) 2013-06-18 US disclosed
US-20120220602-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2012-08-30 US disclosed
US-8198283-B2 Cysteine protease inhibitors MEDIVIR AB (SE) 2012-06-12 US disclosed
US-20110105524-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2011-05-05 US disclosed
US-7893067-B2 Cysteine protease inhibitors MEDIVIR AB (SE) 2011-02-22 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-20110105524-A1 CYSTEINE PROTEASE INHIBITORS CTSK, CTSL, CTSV CTSK 1/4885CTSS 7/4885CTSL 2/4885
US-20120220602-A1 CYSTEINE PROTEASE INHIBITORS CTSK, CTSL, CTSV CTSK 1/4885CTSS 7/4885CTSL 2/4885

“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.