SCHEMBL2325858

SCHEMBL2325858

CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)C(NC(=O)OCc1ccccc1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.46
ELANE P08246 1/20 0.44
ACE P12821 1/20 0.43
SYK P43405 1/20 0.42
PREP P48147 2/20 0.42
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
CASP2 P42575 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
CASP8 Q14790 1/20 0.42
CASP10 Q92851 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
SCHEMBL2325854 1.00 CTSL (0.46) CTSLELANEACESYKPREP
SCHEMBL13338627 1.00 CTSL (0.46) CTSLELANEACESYKPREP
SCHEMBL2325851 1.00 CTSL (0.46) CTSLELANEACESYKPREP
SCHEMBL8281458 0.93 CTSL (0.54) CTSLELANEACE
SCHEMBL30457353 0.93 ACE (0.44) ACEPREPCASP1CASP3CASP2
SCHEMBL31366192 0.91 ACE (0.45) CTSLACEPREPCASP1CASP3
SCHEMBL25272563 0.91 ACE (0.52) ACEPREPCASP1CASP3CASP2
SCHEMBL3795335 0.91 ACE (0.52) ACEPREPCASP1CASP3CASP2
SCHEMBL25225361 0.91 ACE (0.52) ACEPREPCASP1CASP3CASP2
SCHEMBL3795326 0.91 ACE (0.52) ACEPREPCASP1CASP3CASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871904-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-28 US disclosed
US-20140107318-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-04-17 US disclosed
US-8637457-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 US disclosed
EP-2194043-B1 Processes VERTEX PHARMA (US) 2013-12-25 EP disclosed
US-20130172276-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-04 US disclosed
US-20130096277-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-18 US disclosed
US-8399615-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 US disclosed
EP-2364970-A1 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-14 EP disclosed
EP-2357170-A1 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-17 EP disclosed
US-7776887-B2 producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-17 US disclosed
US-20100174077-A1 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-08 US disclosed
EP-2194043-A2 Processes and intermediates Vertex Pharmceuticals Incorporated (US) 2010-06-09 EP disclosed
EP-1934179-B1 PROCESSES AND INTERMEDIATES VERTEX PHARMA (US) 2010-04-07 EP disclosed
US-20100063252-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED 2010-03-11 US disclosed
US-20070087973-A1 producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections VERTEX PHARMACEUTICALS INCORPORATED 2007-04-19 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 (6 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-20130096277-A1 PROCESSES AND INTERMEDIATES CYP1B1, CYP3A7, CYP7A1 CTSL 4050/4885ELANE 3613/4885ACE 1540/4885
US-20100063252-A1 PROCESSES AND INTERMEDIATES TFPI, SPINT2, SERPINB1 CTSL 17/4885ELANE 123/4885ACE 67/4885
US-20130172276-A1 PROCESSES AND INTERMEDIATES TFPI, SPINT2, SERPINB1 CTSL 17/4885ELANE 123/4885ACE 67/4885
US-20070087973-A1 producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections PRSS1, CTRL, TMPRSS2 CTSL 19/4885ELANE 503/4885ACE 89/4885
US-20100174077-A1 Processes and intermediates TFPI, SPINT2, SERPINB1 CTSL 17/4885ELANE 123/4885ACE 67/4885
US-20140107318-A1 PROCESSES AND INTERMEDIATES TFPI, SPINT2, SERPINB1 CTSL 17/4885ELANE 123/4885ACE 67/4885

“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.