SCHEMBL1186715

SCHEMBL1186715

CCOP(=O)(OCC)On1nnc2cccnc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
MGLL Q99685 2/20 0.44
LMNA P02545 4/20 0.37
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL14511826 0.83 FAAH (0.43) FAAHMGLLLMNAMAPK1ALDH1A1
SCHEMBL14243991 0.81 GLA (0.34) FAAHMGLLALDH1A1KDM4ENPC1
SCHEMBL6256744 0.79 NPC1 (0.37) ALDH1A1SMN1; SMN2NPC1RAB9APDE4A
SCHEMBL266156 0.79 TSHR (0.48) LMNASMN1; SMN2NPC1RAB9ATSHR
SCHEMBL1186164 0.78 FAAH (0.38) FAAHMGLLALDH1A1SMN1; SMN2KDM4E
SCHEMBL8448754 0.78 FAAH (0.47) FAAHMGLLLMNAMAPK1ALDH1A1
SCHEMBL29394827 0.76 SMN1; SMN2 (0.49) LMNAMAPK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL76069 0.76 SMN1; SMN2 (0.49) LMNAMAPK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1186822 0.74 FAAH (0.37) FAAHMGLLLMNAKDM4E
SCHEMBL23974808 0.73 FAAH (0.49) FAAHMGLLLMNAMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3980057-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STXB) MONOMERS AND OLIGOMERS, AND USES THEREOF Institut Curie (FR) 2022-04-13 EP disclosed
WO-2020245321-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STxB) MONOMERS AND OLIGOMERS, AND USES THEREOF INSTITUT CURIE (FR) 2020-12-10 WO disclosed
US-8471006-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2013-06-25 US disclosed
US-20120277428-A1 NEW COUPLING AGENTS FOR PEPTIDE SYNTHESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-8217169-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2012-07-10 US disclosed
US-20110028720-A1 New Coupling Agents for Peptide Synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-03 US disclosed
US-7812158-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2010-10-12 US disclosed
US-20090142849-A1 Stable Oxygen Isotope Labeling of Pre-existing Phosphoryl Groups on Phosphomolecules for Modification-Specific Mass Spectrometry UNIVERSITY OF CONNECTICUT (US) 2009-06-04 US disclosed
EP-1687318-A4 NEW COUPLING AGENTS FOR PEPTIDE SYNTHESIS UNIV MASSACHUSETTS (US) 2009-01-07 EP disclosed
US-20070112196-A1 New coupling agents for peptide synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-17 US disclosed
US-20070112196-A1 New coupling agents for peptide synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-17 US disclosed
EP-1687318-A2 NEW COUPLING AGENTS FOR PEPTIDE SYNTHESIS University of Massachusetts (US) 2006-08-09 EP disclosed
WO-2005042562-A2 NEW COUPLING AGENTS FOR PEPTIDE SYNTHESIS THE UNIVERSITY OF MASSACHUSETTS (US) 2005-05-12 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-20120277428-A1 NEW COUPLING AGENTS FOR PEPTIDE SYNTHESIS NGLY1, NPPA, VIP FAAH 2495/4885MGLL 4350/4885LMNA 4717/4885
US-20070112196-A1 New coupling agents for peptide synthesis NGLY1, NPPA, VIP FAAH 2573/4885MGLL 4325/4885LMNA 4649/4885
US-20110028720-A1 New Coupling Agents for Peptide Synthesis NGLY1, NPPA, VIP FAAH 2495/4885MGLL 4350/4885LMNA 4717/4885

“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.