SCHEMBL1626508

SCHEMBL1626508

CC(C)(C)OC(=O)NCC(NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.67
PPARA Q07869 3/20 0.57
CTSS P25774 5/20 0.57
CTSK P43235 5/20 0.55
CTSL P07711 2/20 0.55
CTSB P07858 2/20 0.55
PPARG P37231 2/20 0.52
ATM Q13315 1/20 0.51
MAPT P10636 2/20 0.50
POLB P06746 2/20 0.50
KLK7 P49862 2/20 0.50
KLK5 Q9Y337 2/20 0.50
MAPK1 P28482 1/20 0.50
ACE P12821 1/20 0.50
GPR55 Q9Y2T6 1/20 0.49

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
SCHEMBL30460045 0.96 SYK (0.72) SYKPPARACTSSCTSKCTSL
SCHEMBL6936006 0.93 SYK (0.64) SYKPPARACTSSCTSKCTSL
SCHEMBL3897638 0.91 SYK (0.72) SYKPPARACTSSCTSKCTSL
SCHEMBL7752415 0.90 SYK (0.71) SYKPPARACTSSCTSKCTSL
SCHEMBL14842312 0.90 SYK (0.64) SYKPPARACTSSCTSKCTSL
SCHEMBL14496968 0.90 SYK (0.71) SYKPPARACTSSCTSKCTSL
SCHEMBL20297671 0.90 SYK (0.64) SYKPPARACTSSCTSKCTSL
SCHEMBL6231600 0.90 SYK (0.64) SYKPPARACTSSCTSKCTSL
SCHEMBL18340847 0.90 SYK (0.64) SYKPPARACTSSCTSKCTSL
SCHEMBL479092 0.90 SYK (0.71) SYKPPARACTSSCTSKCTSL

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-1420681-B1 PEPTIDE-BASED MULTIMERIC TARGETED CONTRAST AGENTS EPIX PHARM INC (US) 2013-12-25 EP disclosed
US-7927581-B2 For magnetic resonance imaging (MRI); peptide modified at its N- and its C-termini, independently, with a moiety comprising a metal chelate complex; specific binding affinity for fibrin; sufficient half-life in vivo Factor 1A, LLC (US) 2011-04-19 US disclosed
EP-1420681-A4 PEPTIDE-BASED MULTIMERIC TARGETED CONTRAST AGENTS EPIX PHARM INC (US) 2009-08-05 EP disclosed
US-20070185311-A1 Peptide-Based Multimeric Targeted Contrast Agents EPIX PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-7238341-B2 Peptide-based multimeric targeted contrast agents EPIX PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
US-20060039861-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC., A DELAWARE CORPORATION 2006-02-23 US disclosed
US-6991775-B2 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC. (US) 2006-01-31 US disclosed
US-20050074411-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC. A DELAWARE CORPORATION 2005-04-07 US disclosed
EP-1420681-A2 PEPTIDE-BASED MULTIMERIC TARGETED CONTRAST AGENTS Epix Medical, Inc. (US) 2004-05-26 EP disclosed
US-20030216320-A1 Peptide-based multimeric targeted contrast agents Factor 1A, LLC 2003-11-20 US disclosed
US-20030180222-A1 Peptide-based multimeric targeted contrast agents EPIX PHARMACEUTICALS, INC. 2003-09-25 US disclosed
WO-2003011115-A2 PEPTIDE-BASED MULTIMERIC TARGETED CONTRAST AGENTS EPIX MEDICAL, INC. (US) 2003-02-13 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 (5 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-20030180222-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA SYK 3487/4885PPARA 3661/4885CTSS 1602/4885
US-20060039861-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA SYK 3487/4885PPARA 3661/4885CTSS 1602/4885
US-20070185311-A1 Peptide-Based Multimeric Targeted Contrast Agents NGLY1, IAPP, NPPA SYK 3487/4885PPARA 3661/4885CTSS 1602/4885
US-20050074411-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA SYK 3487/4885PPARA 3661/4885CTSS 1602/4885
US-20030216320-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA SYK 3487/4885PPARA 3661/4885CTSS 1602/4885

“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.