SCHEMBL9971027

SCHEMBL9971027

CS[P@@](C)(=O)OC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 1.00
NPSR1 Q6W5P4 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.33
EPHX1 P07099 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL14346016 1.00 ACHE (1.00) ACHENPSR1MEN1KMT2AGAA
SCHEMBL11513729 0.77 ACHE (0.62) ACHENPSR1MEN1KMT2AGAA
SCHEMBL585584 0.77 ACHE (0.61) ACHENPSR1MEN1KMT2AGAA
SCHEMBL586791 0.77 ACHE (0.61) ACHENPSR1MEN1KMT2AGAA
SCHEMBL575222 0.74 ACHE (0.58) ACHENPSR1MEN1KMT2AGAA
SCHEMBL1091759 0.73 ACHE (0.57) ACHENPSR1MEN1KMT2AGAA
SCHEMBL12305471 0.73 ACHE (0.57) ACHENPSR1MEN1KMT2AGAA
SCHEMBL93674 0.73 ACHE (0.57) ACHENPSR1MEN1KMT2AGAA
SCHEMBL575308 0.71 ACHE (0.55) ACHENPSR1MEN1KMT2AGAA
SCHEMBL575198 0.71 ACHE (0.55) ACHENPSR1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349538-A1 Blood Brain Barrier-Penetrating Oximes for Cholinesterase Reactivation Human BioMolecular Research Foundation (US) 2017-12-07 US disclosed
US-20170349538-A1 Blood Brain Barrier-Penetrating Oximes for Cholinesterase Reactivation Human BioMolecular Research Foundation (US) 2017-12-07 US disclosed
US-9751831-B2 Blood brain barrier-penetrating oximes for cholistenerases reactivation HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2017-09-05 US disclosed
US-9751831-B2 Blood brain barrier-penetrating oximes for cholistenerases reactivation HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2017-09-05 US disclosed
US-20140051712-A1 BLOOD BRAIN BARRIER-PENETRATING OXIMES FOR CHOLISTENERASES REACTIVATION HUMAN BIOMOLECULAR RESEARCH INSTITUTE 2014-02-20 US disclosed
US-20140051712-A1 BLOOD BRAIN BARRIER-PENETRATING OXIMES FOR CHOLISTENERASES REACTIVATION HUMAN BIOMOLECULAR RESEARCH INSTITUTE 2014-02-20 US disclosed
WO-2012083261-A1 BLOOD BRAIN BARRIER-PENETRATING OXIMES FOR CHOLISTENERASES REACTIVATION HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-06-21 WO disclosed
US-20070286846-A1 Novel methods for ester detoxication HUMAN BIOMOLECULAR RESEARCH INSTITUTE 2007-12-13 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 (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-20140051712-A1 BLOOD BRAIN BARRIER-PENETRATING OXIMES FOR CHOLISTENERASES REACTIVATION BCHE, ACHE, PYGB ACHE 2/4885NPSR1 1532/4885MEN1 3539/4885
US-20070286846-A1 Novel methods for ester detoxication CES2, BCHE, ACHE ACHE 3/4885NPSR1 2475/4885MEN1 4804/4885
US-20170349538-A1 Blood Brain Barrier-Penetrating Oximes for Cholinesterase Reactivation ACHE, BCHE, PYGB ACHE 1/4885NPSR1 1357/4885MEN1 3983/4885

“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.