SCHEMBL1627709

SCHEMBL1627709

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

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.61
IDO1 P14902 1/20 0.46
LTA4H P09960 1/20 0.44
CTSS P25774 3/20 0.44
NTSR1 P30989 1/20 0.44
PPARA Q07869 1/20 0.44
MAPT P10636 3/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 3/20 0.43
MAPK1 P28482 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GPR55 Q9Y2T6 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
SCHEMBL17878732 0.86 SYK (0.65) SYKIDO1LTA4HCTSSNTSR1
SCHEMBL29879918 0.86 SYK (0.65) SYKIDO1LTA4HCTSSNTSR1
SCHEMBL1627707 0.83 SYK (0.67) SYKIDO1CTSSNTSR1PPARA
SCHEMBL6016194 0.83 ALDH1A1 (0.50) SYKLTA4HPPARAL3MBTL1POLB
SCHEMBL24689566 0.82 LTA4H (0.50) SYKLTA4HL3MBTL1POLBMAPK1
SCHEMBL6500075 0.81 SYK (0.61) SYKLTA4HCTSSMAPTL3MBTL1
SCHEMBL27533857 0.81 SLC15A1 (0.44) SYKLTA4HL3MBTL1POLBMAPK1
SCHEMBL27533861 0.81 SLC15A1 (0.44) SYKLTA4HL3MBTL1POLBMAPK1
SCHEMBL1274535 0.80 MEN1 (0.46) SYKCTSSCTSLCTSBCTSK
SCHEMBL9219395 0.80 SYK (0.63) SYKIDO1CTSSNTSR1PPARA

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 3487/4885IDO1 4137/4885LTA4H 3336/4885
US-20060039861-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA SYK 3487/4885IDO1 4137/4885LTA4H 3336/4885
US-20070185311-A1 Peptide-Based Multimeric Targeted Contrast Agents NGLY1, IAPP, NPPA SYK 3487/4885IDO1 4137/4885LTA4H 3336/4885
US-20050074411-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA SYK 3487/4885IDO1 4137/4885LTA4H 3336/4885
US-20030216320-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA SYK 3487/4885IDO1 4137/4885LTA4H 3336/4885

“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.