SCHEMBL9909675

SCHEMBL9909675

CN1CCN(c2nc(-c3ccc(C(=O)N[C@H](C(=O)N4C[C@@H](Cl)[C@H]5OCC(=O)[C@H]54)C4CCCCC4)cc3)cs2)CC1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.64
CTSS P25774 10/20 0.62
CTSL P07711 4/20 0.62
CTSV O60911 1/20 0.62
CTSB P07858 1/20 0.62

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
SCHEMBL1169940 1.00 CTSK (0.64) CTSKCTSSCTSLCTSVCTSB
SCHEMBL8107175 1.00 CTSK (0.64) CTSKCTSSCTSLCTSVCTSB
SCHEMBL1169411 1.00 CTSK (0.64) CTSKCTSSCTSLCTSVCTSB
SCHEMBL6123421 0.99 CTSK (0.65) CTSKCTSSCTSLCTSVCTSB
SCHEMBL3266068 0.99 CTSK (0.65) CTSKCTSSCTSLCTSVCTSB
SCHEMBL3543908 0.92 CTSK (0.65) CTSKCTSSCTSLCTSVCTSB
SCHEMBL3543820 0.92 CTSK (0.65) CTSKCTSSCTSLCTSVCTSB
SCHEMBL1480676 0.92 CTSK (0.75) CTSKCTSSCTSL
SCHEMBL1482439 0.92 CTSK (0.75) CTSKCTSSCTSL
SCHEMBL3544635 0.92 CTSK (0.64) CTSKCTSSCTSLCTSVCTSB

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.