SCHEMBL1626512

SCHEMBL1626512

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SYK P43405 1/20 0.42
KMT2A Q03164 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC15A1 P46059 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
LTA4H P09960 1/20 0.38

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
Ammonia Solution, Strong SCHEMBL27493617 0.99 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1SYKKMT2A
SCHEMBL27711717 0.92 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1SYKKMT2A
SCHEMBL27711718 0.92 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1SYKKMT2A
Ammonia Solution, Strong SCHEMBL27780858 0.91 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1SYKKMT2A
SCHEMBL11169957 0.90 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1SYKKMT2A
SCHEMBL27703130 0.90 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1SYKKMT2A
SCHEMBL27516607 0.89 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1SYKKMT2A
SCHEMBL27847368 0.86 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1SYKKMT2A
SCHEMBL27341323 0.86 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1SYKKMT2A
SCHEMBL6016191 0.86 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1SYKKMT2A

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 ALDH1A1 4848/4885MAPK1 2622/4885L3MBTL1 1784/4885
US-20060039861-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA ALDH1A1 4848/4885MAPK1 2622/4885L3MBTL1 1784/4885
US-20070185311-A1 Peptide-Based Multimeric Targeted Contrast Agents NGLY1, IAPP, NPPA ALDH1A1 4848/4885MAPK1 2622/4885L3MBTL1 1784/4885
US-20050074411-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA ALDH1A1 4848/4885MAPK1 2622/4885L3MBTL1 1784/4885
US-20030216320-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA ALDH1A1 4848/4885MAPK1 2622/4885L3MBTL1 1784/4885

“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.