SCHEMBL9909674

SCHEMBL9909674

COC1(OC)CO[C@@H]2[C@H](Cl)CN(C(=O)[C@@H](NC(=O)c3ccc(-c4csc(N5CCN(C)CC5)n4)cc3)C3CCCCC3)[C@@H]21

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.47
CTSS P25774 8/20 0.47
CTSL P07711 6/20 0.47
CTSB P07858 3/20 0.44
CTSV O60911 1/20 0.41

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
SCHEMBL1169938 1.00 CTSK (0.47) CTSKCTSSCTSLCTSBCTSV
SCHEMBL9909844 0.87 CTSK (0.63) CTSKCTSSCTSLCTSB
SCHEMBL1169411 0.84 CTSK (0.64) CTSKCTSSCTSLCTSBCTSV
SCHEMBL8107175 0.84 CTSK (0.64) CTSKCTSSCTSLCTSBCTSV
SCHEMBL1169940 0.84 CTSK (0.64) CTSKCTSSCTSLCTSBCTSV
SCHEMBL9909675 0.84 CTSK (0.64) CTSKCTSSCTSLCTSBCTSV
SCHEMBL6123421 0.83 CTSK (0.65) CTSKCTSSCTSLCTSBCTSV
SCHEMBL3266068 0.83 CTSK (0.65) CTSKCTSSCTSLCTSBCTSV
SCHEMBL4725616 0.79 CTSK (0.63) CTSKCTSSCTSLCTSB
SCHEMBL3545595 0.79 CTSK (0.63) CTSKCTSSCTSLCTSBCTSV

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 13 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-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-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-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-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
US-7893067-B2 Cysteine protease inhibitors MEDIVIR AB (SE) 2011-02-22 US disclosed
US-20090023748-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2009-01-22 US disclosed
US-20090023748-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2009-01-22 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 (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-20110105524-A1 CYSTEINE PROTEASE INHIBITORS CTSK, CTSL, CTSV CTSK 1/4885CTSS 7/4885CTSL 2/4885
US-20090023748-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.