SCHEMBL143011

SCHEMBL143011

COP(=O)(O)OC(=O)c1cc(C(=O)OP(=O)(O)OC)cc(C(=O)OP(=O)(O)OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KDM4E B2RXH2 6/20 0.38
LMNA P02545 4/20 0.38
POLB P06746 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
XDH P47989 1/20 0.38
GFER P55789 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
FUT7 Q11130 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 3/20 0.36
ALDH1A1 P00352 5/20 0.35

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
SCHEMBL9425049 0.88 RAB9A (0.42) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL5802987 0.82 TSHR (0.55) KDM4ELMNAPOLBL3MBTL1TDP1
SCHEMBL9078315 0.76 CA1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL29580776 0.75 CA1 (0.36) CA12CA1CA2CA7CA9
SCHEMBL3653725 0.69
SCHEMBL4362470 0.69
Phosphoric Acid Monomethyl Ester SCHEMBL9424981 0.68 CA1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL6522079 0.68 TDP1 (0.57) LMNAGAATDP1MAPTALDH1A1
SCHEMBL666091 0.68 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL147169 0.68 CA1 (0.71) CA12CA1CA2CA7CA9

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026348-A1 NITROXYLATED PROTEINS AND METHODS FOR THE USE THEREOF SCHINDLER, WILLIAM 2023-01-26 US disclosed
US-11359004-B2 Succinimide-activated nitroxyl compounds and methods for the use thereof for nitroxylation of proteins Schindler, William (US) 2022-06-14 US disclosed
US-11298407-B2 Hemoglobin based oxygen carrier and method of preparation THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2022-04-12 US disclosed
EP-2968597-B1 POLYALKYLENE OXIDE VALERATE HEMOGLOBIN CONJUGATES SCHINDLER WILLIAM (US) 2021-08-18 EP disclosed
US-10821158-B2 Polyalkylene oxide valerate hemoglobin conjugates Schindler, William (US) 2020-11-03 US disclosed
US-20190127445-A1 SUCCINIMIDE-ACTIVATED NITROXYL COMPOUNDS AND METHODS FOR THE USE THEREOF FOR NITROXYLATION OF PROTEINS SCHINDLER, WILLIAM 2019-05-02 US disclosed
EP-2834329-B1 SUCCINIMIDE-ACTIVATED NITROXYL COMPOUNDS AND METHODS FOR THE USE THEREOF FOR NITROXYLATION OF PROTEINS SCHINDLER WILLIAM (US) 2018-10-17 EP disclosed
WO-2018053634-A1 HEMOGLOBIN BASED OXYGEN CARRIER AND METHOD OF PREPARATION THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2018-03-29 WO disclosed
WO-2017197499-A1 STABILIZED HEMOGLOBIN-AVIDIN ASSEMBLY AND METHOD OF PREPARATION THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-11-23 WO disclosed
US-20160022783-A1 POLYALKYLENE OXIDE VALERATE HEMOGLOBIN CONJUGATES SCHINDLER, WILLIAM 2016-01-28 US disclosed
WO-1998037909-A9 METHODS AND COMPOSITIONS FOR OPTIMIZATION OF OXYGEN TRANSPORT BY CELL-FREE SYSTEMS UNIV CALIFORNIA (US) 1999-11-18 WO disclosed
US-5917020-A CROSSLINKING REAGENT FOR PROTEIN MODIFICATION KLUGER RONALD H (CA) 1999-06-29 US disclosed
EP-0669940-B1 SPECIFICALLY CROSSLINKED HEMOGLOBIN WITH FREE FUNCTIONALITY UNIV TORONTO (CA) 1999-02-10 EP disclosed
US-5811521-A Multifunctional crosslinking reagents for hemoglobin, and crosslinked hemoglobin conjugates KLUGER RONALD H (CA) 1998-09-22 US disclosed
WO-1998037909-A1 METHODS AND COMPOSITIONS FOR OPTIMIZATION OF OXYGEN TRANSPORT BY CELL-FREE SYSTEMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-09-03 WO disclosed
EP-0785920-A1 MULTIFUNCTIONAL CROSS-LINKING REAGENTS FOR HEMOGLOBIN, AND CROSS-LINKED HEMOGLOBIN CONJUGATES KLUGER, Ronald (CA) 1997-07-30 EP disclosed
WO-1997000236-A1 MULTIFUNCTIONAL CROSS-LINKING REAGENTS FOR HEMOGLOBIN, AND CROSS-LINKED HEMOGLOBIN CONJUGATES KLUGER RONALD (CA) 1997-01-03 WO disclosed
EP-0669940-A1 SPECIFICALLY CROSSLINKED HEMOGLOBIN WITH FREE FUNCTIONALITY THE UNIVERSITY OF TORONTO INNOVATIONS FOUNDATION (CA) 1995-09-06 EP disclosed
US-5399671-A Specifically crosslinked hemoglobin with free functionality UNIVERSITY OF TORONTO INNOVATIONS FOUNDATION, THE (CA) 1995-03-21 US disclosed
WO-1994011399-A1 SPECIFICALLY CROSSLINKED HEMOGLOBIN WITH FREE FUNCTIONALITY KLUGER RONALD (CA) 1994-05-26 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 (6 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-20160022783-A1 POLYALKYLENE OXIDE VALERATE HEMOGLOBIN CONJUGATES HBZ, HBB, HBG1 CA12 540/4885CA1 2040/4885CA2 1297/4885
US-10821158-B2 Polyalkylene oxide valerate hemoglobin conjugates HBZ, HBB, HBG1 CA12 540/4885CA1 2040/4885CA2 1297/4885
US-20190127445-A1 SUCCINIMIDE-ACTIVATED NITROXYL COMPOUNDS AND METHODS FOR THE USE THEREOF FOR NITROXYLATION OF PROTEINS PPOX, QSOX1, HMOX2 CA12 1440/4885CA1 2608/4885CA2 1380/4885
US-11298407-B2 Hemoglobin based oxygen carrier and method of preparation HBZ, HBB, HBG2 CA12 1018/4885CA1 1753/4885CA2 361/4885
US-20230026348-A1 NITROXYLATED PROTEINS AND METHODS FOR THE USE THEREOF PPOX, MB, HMOX2 CA12 1933/4885CA1 3350/4885CA2 2043/4885
US-11359004-B2 Succinimide-activated nitroxyl compounds and methods for the use thereof for nitroxylation of proteins PPOX, QSOX1, HMOX2 CA12 1440/4885CA1 2608/4885CA2 1380/4885

“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.