SCHEMBL321616

SCHEMBL321616

NCCOCCOCCNC(=O)CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA2 P00918 7/20 0.40
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA4 P22748 4/20 0.38
CA9 Q16790 4/20 0.38
CA14 Q9ULX7 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ADRB2 P07550 1/20 0.33
HTR1A P08908 1/20 0.33
TLR2 O60603 1/20 0.33
NCF1 P14598 1/20 0.33
ENO1 P06733 1/20 0.32
LMNA P02545 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
GAA P10253 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL22368126 1.00 MEN1 (0.41) MEN1KMT2ACA2CA12CA1
SCHEMBL28672982 0.98 MEN1 (0.38) MEN1KMT2ACA2CA12CA1
SCHEMBL20115945 0.87 MEN1 (0.45) MEN1KMT2ACA2CA12CA1
SCHEMBL23128359 0.87 MEN1 (0.38) MEN1KMT2ACA2CA12CA1
SCHEMBL19172671 0.86 CA2 (0.49) MEN1KMT2ACA2CA12CA1
SCHEMBL23822616 0.85 CA2 (0.42) MEN1KMT2ACA2CA12CA1
SCHEMBL20904578 0.84 CA2 (0.44) MEN1KMT2ACA2CA12CA1
SCHEMBL20017289 0.84 MEN1 (0.41) MEN1KMT2ACA2CA12CA1
SCHEMBL24040332 0.84 MEN1 (0.41) MEN1KMT2ACA2CA12CA1
SCHEMBL21415394 0.84 CA2 (0.44) MEN1KMT2ACA2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320815-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2017-11-09 US disclosed
US-9725405-B2 Alkynes and methods of reacting alkynes with 1,3-dipole-functional compounds UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2017-08-08 US disclosed
US-20160159732-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2016-06-09 US disclosed
US-9227943-B2 Alkynes and methods of reacting alkynes with 1,3-dipole-functional compounds UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2016-01-05 US disclosed
US-20150126706-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2015-05-07 US disclosed
US-8993295-B2 Methods, compositions, and kits for the selective activation of protoxins through combinatorial targeting THE GENERAL HOSPITAL CORPORATION (US) 2015-03-31 US disclosed
EP-2222341-B1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS UNIV GEORGIA (US) 2015-02-25 EP disclosed
US-8940859-B2 Alkynes and methods of reacting alkynes with 1,3-dipole-functional compounds UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-01-27 US disclosed
US-20120322974-A9 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-12-20 US disclosed
US-20120172575-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-07-05 US disclosed
US-8133515-B2 Alkynes and methods of reacting alkynes with 1,3-dipole-functional compounds UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-03-13 US disclosed
US-20120040011-A9 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-02-16 US disclosed
US-20100297250-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2010-11-25 US disclosed
US-20100055761-A1 METHODS, COMPOSITIONS, AND KITS FOR THE SELECTIVE ACTIVATION OF PROTOXINS THROUGH COMBINATORAL TARGETING THE GENERAL HOSPITAL CORPORATION (US) 2010-03-04 US disclosed
US-20080306008-A1 Peptides for Use in the Treatment of Obesity NOVA NORDISK A/S (DK) 2008-12-11 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 (8 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-20080306008-A1 Peptides for Use in the Treatment of Obesity MC4R, GIPR, MC3R MEN1 553/4885KMT2A 3130/4885CA2 2667/4885
US-20100297250-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS ALG1, ST3GAL3, B3GNT2 MEN1 1074/4885KMT2A 3873/4885CA2 969/4885
US-20120040011-A9 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS ALG1, ST3GAL3, B3GNT2 MEN1 1074/4885KMT2A 3873/4885CA2 969/4885
US-20170320815-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS ALG1, ST3GAL3, B3GNT2 MEN1 1074/4885KMT2A 3873/4885CA2 969/4885
US-20120322974-A9 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS ALG1, ST3GAL3, B3GNT2 MEN1 1074/4885KMT2A 3873/4885CA2 969/4885
US-20150126706-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS ALG1, ST3GAL3, B3GNT2 MEN1 1074/4885KMT2A 3873/4885CA2 969/4885
US-20120172575-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS ALG1, ST3GAL3, B3GNT2 MEN1 1074/4885KMT2A 3873/4885CA2 969/4885
US-20160159732-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS ALG1, ST3GAL3, B3GNT2 MEN1 1074/4885KMT2A 3873/4885CA2 969/4885

“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.