SCHEMBL3346894

SCHEMBL3346894

CC(C)(C)OC(=O)N1C[C@H](OCc2cccc3ccccc23)CC1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.42
ABCB1 P08183 1/20 0.40
ACHE P22303 1/20 0.40
MCL1 Q07820 2/20 0.38
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
AGTR2 P50052 7/20 0.38
PARP1 P09874 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL3346893 1.00 UCHL1 (0.42) UCHL1ABCB1ACHEMCL1GRM2
SCHEMBL3346899 1.00 UCHL1 (0.42) UCHL1ABCB1ACHEMCL1GRM2
SCHEMBL12891831 0.84 POLB (0.43) UCHL1ABCB1MCL1PARP1
SCHEMBL7287734 0.84 ABCB1 (0.52) UCHL1ABCB1MCL1AGTR2
SCHEMBL3179881 0.84 ABCB1 (0.52) UCHL1ABCB1MCL1AGTR2
SCHEMBL26604823 0.84 ABCB1 (0.52) UCHL1ABCB1MCL1AGTR2
SCHEMBL376159 0.84 ABCB1 (0.52) UCHL1ABCB1MCL1AGTR2
SCHEMBL1448119 0.84 ABCB1 (0.52) UCHL1ABCB1MCL1AGTR2
SCHEMBL949983 0.84 ABCB1 (0.52) UCHL1ABCB1MCL1AGTR2
SCHEMBL708630 0.84 ABCB1 (0.52) UCHL1ABCB1MCL1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41894-E1 Hepatitis C inhibitor tri-peptides BOEHRINGER INGELHEIM CANADA LTD. (CA) 2010-10-26 US disclosed
US-RE41356-E1 Hepatitis C inhibitor tri-peptides BOEHRINGER INGELHEIM CANADA LTD. (CA) 2010-05-25 US disclosed
EP-1105413-B1 HEPATITIS C INHIBITOR TRI-PEPTIDES BOEHRINGER INGELHEIM CA LTD (CA) 2009-04-29 EP disclosed
EP-2028186-A2 Hepatitis C inhibitor tri-peptides BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-02-25 EP disclosed
US-RE40525-E1 Hepatitis C inhibitor tri-peptides BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-09-30 US disclosed
EP-1105422-B1 HEPATITIS C INHIBITOR PEPTIDES BOEHRINGER INGELHEIM CA LTD (CA) 2006-02-15 EP disclosed
EP-1003775-B1 HEPATITIS C INHIBITOR PEPTIDES BOEHRINGER INGELHEIM CA LTD (CA) 2005-03-16 EP disclosed
EP-1012180-B1 HEPATITIS C INHIBITOR PEPTIDE ANALOGUES BOEHRINGER INGELHEIM CA LTD (CA) 2004-12-01 EP disclosed
US-6767991-B1 PEPTIDES AND ANALOGS THEREOF; VIRAL PROTEASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH PEPTIDES AND RIBAVIRIN BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-07-27 US disclosed
US-6420380-B2 FOR TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-07-16 US disclosed
US-6410531-B1 FOR THERAPY OF HEPATITIS C VIRUS (HCV) INFECTION BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-06-25 US disclosed
US-20020037998-A1 Hepatitis C inhibitor tri-peptides LLINAS-BRUNET MONTSE (CA) 2002-03-28 US disclosed
US-20020016442-A1 Hepatitis C inhibitor tri-peptides LLINAS-BRUNET MONTSE (CA) 2002-02-07 US disclosed
US-6329379-B1 OLIGOPEPTIDES FOR INHIBITING HEPATITIS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-12-11 US disclosed
US-6329417-B1 RACEMATES, DIASTEREOISOMERS AND OPTICAL ISOMERS; PROTEASE INHIBITOR PEPTIDE ANALOG BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-12-11 US disclosed
US-6323180-B1 PROTEASE INHIBITORS; INHIBIT REPLICATION OF HEPATITIS C VIRUS BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2001-11-27 US disclosed
US-6268207-B1 RESOLUTION OF ENANTIOMERS FROM A MIXTURE OF (1R,2S)/(1S,2S)-1-AMINO-2-VINYLCYCLOPROPYL CARBOXYLIC ACID METHYL ESTER COMPRISING THE STEP OF TREATING SAID MIXTURE WITH AN ESTERASE TO OBTAIN THE CORRESPONDING (1R,2S) ENANTIOMER BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-07-31 US disclosed
US-6143715-A FOR TREATING AND PREVENTION OF HEPATITIS C VIURS INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2000-11-07 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 (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-20020037998-A1 Hepatitis C inhibitor tri-peptides LIPC, HAVCR2, HCCS UCHL1 3305/4885ABCB1 2958/4885ACHE 4859/4885
US-20020016442-A1 Hepatitis C inhibitor tri-peptides HAVCR2, LIPC, HCCS UCHL1 3390/4885ABCB1 2885/4885ACHE 4871/4885

“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.