SCHEMBL1169987

SCHEMBL1169987

CC(C)CC(N[C@@H](c1ccc(-c2csc(N3CCN(C)CC3)n2)cc1)C(F)(F)F)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.52
CTSS P25774 12/20 0.52
CTSL P07711 10/20 0.52
CTSB P07858 8/20 0.52
KDM4E B2RXH2 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.44

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
SCHEMBL1169983 1.00 CTSK (0.52) CTSKCTSSCTSLCTSBKDM4E
SCHEMBL1169141 0.90 CTSK (0.48) CTSKCTSSCTSLCTSBKDM4E
SCHEMBL1169138 0.90 CTSK (0.48) CTSKCTSSCTSLCTSBKDM4E
SCHEMBL2156137 0.89 CTSL (0.63) CTSKCTSSCTSLCTSB
SCHEMBL4092781 0.80 CTSK (0.66) CTSKCTSSCTSLCTSB
SCHEMBL1168977 0.80 CTSK (0.65) CTSKCTSSCTSLCTSB
SCHEMBL8104303 0.80 CTSK (0.65) CTSKCTSSCTSLCTSB
SCHEMBL4092038 0.78 CTSK (0.48) CTSKCTSSCTSLCTSBRAB9A
SCHEMBL4092036 0.78 CTSK (0.48) CTSKCTSSCTSLCTSBRAB9A
SCHEMBL1169140 0.78 CTSK (0.48) CTSKCTSSCTSLCTSBMAPT

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 12 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
EP-2167507-A1 CYSTEINE PROTEASE INHIBITORS Medivir AB (SE) 2010-03-31 EP disclosed
US-20090023748-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2009-01-22 US disclosed
US-20090023747-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2009-01-22 US disclosed
WO-2009000877-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-12-31 WO disclosed
EP-1899336-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-03-19 EP disclosed
WO-2007006716-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 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 (4 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-20090023747-A1 Cysteine Protease Inhibitors CTSK, CTSS, CTSZ CTSK 1/4885CTSS 2/4885CTSL 10/4885
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.