SCHEMBL7528358

SCHEMBL7528358

CC(C)(C)OC(=O)NC1(C(=O)OCc2ccccc2)CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.56
CTSS P25774 5/20 0.56
CTSB P07858 3/20 0.56
CTSK P43235 4/20 0.47
SYK P43405 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FAAH O00519 1/20 0.42
PPARA Q07869 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41

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
SCHEMBL550418 1.00 CTSL (0.56) CTSLCTSSCTSBCTSKSYK
SCHEMBL4823158 0.99 CTSS (0.54) CTSLCTSSCTSBCTSKSYK
SCHEMBL1143391 0.96 CTSL (0.51) CTSLCTSSCTSBCTSKSYK
SCHEMBL2535173 0.94 SYK (0.49) CTSLCTSSCTSBSYKCA12
SCHEMBL7352450 0.89 CTSS (0.60) CTSLCTSSCTSBCTSKSYK
SCHEMBL18482459 0.88 SYK (0.45) CTSLCTSSCTSBSYKCA12
SCHEMBL18482457 0.88 SYK (0.45) CTSLCTSSCTSBCTSKSYK
SCHEMBL1147367 0.86 CTSL (0.43) CTSLCTSSCTSBSYKKMT2A
SCHEMBL28776844 0.85 SYK (0.46) CTSLCTSSCTSBSYKCA12
SCHEMBL5324101 0.85 CTSS (0.61) CTSLCTSSCTSBCTSKCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524657-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2013-09-03 US disclosed
US-20110312875-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2011-12-22 US disclosed
US-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 US disclosed
US-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 US disclosed
EP-2199300-A2 Peptidic compounds The University Of Wollongong (AU) 2010-06-23 EP disclosed
US-20080300287-A1 Peptidic Compounds UNIVERSITY OF WOLLONGONG (AU) 2008-12-04 US disclosed
US-20080300287-A1 Peptidic Compounds UNIVERSITY OF WOLLONGONG (AU) 2008-12-04 US disclosed
US-7423058-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-09-09 US disclosed
US-7423058-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-09-09 US disclosed
US-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease MERCK SHARP & DOHME CORP. 2007-06-21 US disclosed
US-7205330-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2007-04-17 US disclosed
WO-2006074501-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2006-07-20 WO disclosed
WO-2005085275-A1 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE SCHERING CORPORATION (US) 2005-09-15 WO disclosed
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 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 (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-20080300287-A1 Peptidic Compounds VIP, NGLY1, FURIN CTSL 115/4885CTSS 449/4885CTSB 248/4885
US-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease HAVCR2, RNASE1, SERPINB1 CTSL 106/4885CTSS 103/4885CTSB 116/4885
US-20110312875-A1 PEPTIDIC COMPOUNDS VIP, NGLY1, FURIN CTSL 66/4885CTSS 354/4885CTSB 225/4885

“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.