SCHEMBL6908374

SCHEMBL6908374

Cn1ccc(NC(=O)C(O)[C@]2(NC(=O)[C@H](CC3(C)CCCC3)NC(=O)OC(C)(C)C)C[C@H](F)C2)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.36
SCN9A Q15858 10/20 0.33
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
CTSL P07711 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
CCKAR P32238 3/20 0.31
CCKBR P32239 3/20 0.31
IDO1 P14902 1/20 0.31
ITGAV P06756 1/20 0.31
ITGB6 P18564 1/20 0.31

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
SCHEMBL14317256 0.92 CTSK (0.36) CTSKSCN9ADPP8DPP9CTSL
SCHEMBL6886347 0.92 CTSK (0.36) CTSKSCN9ADPP8DPP9CTSL
SCHEMBL6907150 0.92 CTSK (0.38) CTSKCTSLIDO1
SCHEMBL6908257 0.91 CTSK (0.40) CTSKSCN9ACTSLCCKARCCKBR
SCHEMBL15888244 0.91 CTSK (0.40) CTSKSCN9ACTSLCCKARCCKBR
SCHEMBL7927911 0.90 CTSK (0.41) CTSKSCN9ACTSLCCKARCCKBR
SCHEMBL6886995 0.90 CTSK (0.37) CTSKSCN9ACTSLIDO1ITGAV
SCHEMBL14242307 0.90 CTSK (0.37) CTSKSCN9ACTSLIDO1ITGAV
SCHEMBL13641977 0.87 CTSK (0.35) CTSKCTSLIDO1
SCHEMBL13584567 0.87 CTSK (0.35) CTSKCTSLIDO1

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
US-8859605-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-10-14 US disclosed
US-8815809-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-08-26 US disclosed
EP-2509956-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2014-07-23 EP disclosed
US-20120309673-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2012-12-06 US disclosed
US-20120283305-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2012-11-08 US disclosed
WO-2011070539-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2011-06-16 WO 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-20120309673-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 CTSK 13/4885SCN9A 3184/4885DPP8 1300/4885
US-20120283305-A1 CYSTEINE PROTEASE INHIBITORS CTSS, CTSB, CTRB1 CTSK 19/4885SCN9A 3350/4885DPP8 1247/4885

“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.