Sugi Predict

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SCHEMBL742779

SCHEMBL742779

CC(C)(C)OC(=O)N[C@@H](CC1CCC1)C(O)C(=O)NC1CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.50
▸ CTSK P43235 2/20 0.50
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ GAA P10253 1/20 0.41
▸ REN P00797 8/20 0.41
▸ EPHX1 P07099 1/20 0.40
▸ AAK1 Q2M2I8 2/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CTSD P07339 1/20 0.39
▸ CTSE P14091 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL3725538 1.00 CTSS (0.50) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL4100993 0.86 CTSS (0.47) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL741911 0.86 CTSS (0.47) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL12161411 0.84 CTSK (0.51) CTSSCTSKRENAAK1CA1
SCHEMBL13347448 0.84 CTSK (0.48) CTSSCTSKRENAAK1CA1
SCHEMBL2809379 0.84 CTSK (0.51) CTSSCTSKRENAAK1CA1
SCHEMBL13347447 0.84 CTSK (0.48) CTSSCTSKRENAAK1CA1
SCHEMBL7850121 0.84 CTSK (0.48) CTSSCTSKRENAAK1CA1
SCHEMBL9819679 0.84 CTSS (0.57) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL7860628 0.83 CTSK (0.47) CTSSCTSKRENAAK1CA1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1906945-B1 HCV INHIBITORS VIROBAY INC (US) 2015-08-05 — — EP disclosed
US-8518874-B2 HCV inhibitors VIROBAY, INC. (US) 2013-08-27 — — US disclosed
US-8518874-B2 HCV inhibitors VIROBAY, INC. (US) 2013-08-27 — — US disclosed
US-8518874-B2 HCV inhibitors VIROBAY, INC. (US) 2013-08-27 — — US disclosed
US-8211897-B2 Inhibitors of cathepsin B VIROBAY, INC. (US) 2012-07-03 — — US disclosed
US-8211897-B2 Inhibitors of cathepsin B VIROBAY, INC. (US) 2012-07-03 — — US disclosed
US-8211897-B2 Inhibitors of cathepsin B VIROBAY, INC. (US) 2012-07-03 — — US disclosed
EP-2431379-A2 HCV inhibitors Virobay, Inc. (US) 2012-03-21 — — EP disclosed
EP-2431379-A2 HCV inhibitors Virobay, Inc. (US) 2012-03-21 — — EP disclosed
US-20100266537-A1 HCV INHIBITORS VIROBAY, INC. (US) 2010-10-21 — — US disclosed
WO-2009100225-A1 INHIBITORS OF CATHEPSIN B VIROBAY, INC. (US) 2009-08-13 — — WO disclosed
US-20090203629-A1 INHIBITORS OF CATHEPSIN B VIROBAY, INC. (US) 2009-08-13 — — US disclosed
US-20090203629-A1 INHIBITORS OF CATHEPSIN B VIROBAY, INC. (US) 2009-08-13 — — US disclosed
US-20090203629-A1 INHIBITORS OF CATHEPSIN B VIROBAY, INC. (US) 2009-08-13 — — US disclosed
US-20080161254-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-03 — — US disclosed
US-20080161254-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-03 — — US disclosed
US-20070054864-A1 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections QUEST DIAGNOSTICS INVESTMENTS LLC 2007-03-08 — — US disclosed
US-20070054864-A1 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections QUEST DIAGNOSTICS INVESTMENTS LLC 2007-03-08 — — US disclosed
US-20070054864-A1 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections QUEST DIAGNOSTICS INVESTMENTS LLC 2007-03-08 — — US disclosed
WO-2007005838-A2 HCV INHIBITORS VIROBAY, INC. (US) 2007-01-11 — — 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-20100266537-A1 HCV INHIBITORS HAVCR2, EIF2AK2, ZC3HAV1 CTSS 261/4885CTSK 597/4885HDAC4 2708/4885
US-20080161254-A1 HCV INHIBITORS HAVCR2, ZC3HAV1, EIF2AK2 CTSS 199/4885CTSK 448/4885HDAC4 2912/4885
US-20070054864-A1 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections HAVCR2, EIF2AK2, GTF3C1 CTSS 583/4885CTSK 694/4885HDAC4 2378/4885
US-20090203629-A1 INHIBITORS OF CATHEPSIN B CTSB, CSTB, CTSF CTSS 4/4885CTSK 9/4885HDAC4 1203/4885

“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.