SCHEMBL356641

SCHEMBL356641

O=[N+](O)c1ccc(P(=O)([O-])O)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
CES1 P23141 2/20 0.37
CES2 O00748 1/20 0.37
CA12 O43570 2/20 0.34
MMP2 P08253 2/20 0.34
AKR1C3 P42330 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CA4 P22748 1/20 0.30
CA5A P35218 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
SCHEMBL3397979 0.83 CA1 (0.33) CA2CA1CES1CES2CA12
SCHEMBL2637263 0.76 TSHR (0.38) CA2CA1CES1CES2CA12
SCHEMBL2374254 0.74 AKR1C3 (0.42) CA2CA1CES1CES2CA12
SCHEMBL35321 0.74 CA1 (0.55) CA2CA1CES1CES2CA12
SCHEMBL11322611 0.72 CA1 (0.53) CA2CA1CES1CES2CA12
SCHEMBL3733671 0.72 CA1 (0.53) CA2CA1CES1CES2CA12
SCHEMBL2636710 0.71 PGK1 (0.48)
SCHEMBL3625606 0.71 TSHR (0.42) AKR1C3LMNATSHR
SCHEMBL8600352 0.70 IDO1 (0.39) CA2CA1CES1CES2AKR1C3
SCHEMBL8133189 0.70 GSK3B (0.42) CA2CA1CES1AKR1C3MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927135-B2 Metal-free direct arylation of dialkyl phosphonates for the synthesis of mixed alkyl aryl phosphonates THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2021-02-23 US disclosed
US-20200255461-A1 METAL-FREE DIRECT ARYLATION OF DIALKYL PHOSPHONATES FOR THE SYNTHESIS OF MIXED ALKYL ARYL PHOSPHONATES THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2020-08-13 US disclosed
WO-2019028391-A1 METAL-FREE DIRECT ARYLATION OF DIALKYL PHOSPHONATES FOR THE SYNTHESIS OF MIXED ALKYL ARYL PHOSPHONATES THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2019-02-07 WO disclosed
EP-2438056-B1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS LLC (US) 2017-12-20 EP disclosed
US-9096624-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2015-08-04 US disclosed
US-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2013-09-05 US disclosed
EP-2202308-B1 Methods and compositions for polypeptide engineering CODEXIS MAYFLOWER HOLDINGS LLC (US) 2013-02-13 EP disclosed
EP-2480533-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
EP-2438056-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2012-04-11 EP disclosed
US-20120015820-A1 METHODS AND COMPOSITIONS FOR POLYPEPTIDE ENGINEERING CODEXIS MAYFLOWER HOLDINGS, LLC (US) 2012-01-19 US disclosed
US-5654282-A Selectin binding glycopeptides GLYCOMED INCORPORATED (US) 1997-08-05 US disclosed
US-5641865-A SURFACTANT STABILIZED MICROHETEROGENEOUS DISPERSION OF AQUEOUS PHASE CONTAINING ANTIBODY OR FRAGMENT THEREOF IN WATER IMMISCIBLE MEDIUM IGEN, INC. (US) 1997-06-24 US disclosed
EP-0414755-B1 INTERACTION SYSTEM COMPRISING A SURFACTANT-STABILIZED DISPERSE AQUEOUS PHASE CONTAINING AN ANTIBODY OR ANTIBODY FRAGMENT IGEN INC (US) 1996-10-16 EP disclosed
EP-0720619-A1 SELECTIN BINDING GLYCOPEPTIDES GLYCOMED INCORPORATED (US) 1996-07-10 EP disclosed
US-5508387-A Selectin binding glycopeptides GLYCOMED INCORPORATED (US) 1996-04-16 US disclosed
WO-1995004751-A1 SELECTIN BINDING GLYCOPEPTIDES GLYCOMED INCORPORATED (US) 1995-02-16 WO disclosed
US-5314642-A Hydrolysis IGEN, INC. (US) 1994-05-24 US disclosed
EP-0414755-A4 INTERACTION SYSTEM COMPRISING A SURFACTANT-STABILIZED DISPERSE AQUEOUS PHASE CONTAINING AN ANTIBODY OR ANTIBODY FRAGMENT 1991-12-11 EP disclosed
EP-0414755-A1 INTERACTION SYSTEM COMPRISING A SURFACTANT-STABILIZED DISPERSE AQUEOUS PHASE CONTAINING AN ANTIBODY OR ANTIBODY FRAGMENT. IGEN INC (US) 1991-03-06 EP disclosed
WO-1989010142-A1 INTERACTION SYSTEM COMPRISING A SURFACTANT-STABILIZED DISPERSE AQUEOUS PHASE CONTAINING AN ANTIBODY OR ANTIBODY FRAGMENT IGEN, INC. (US) 1989-11-02 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-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS CA2 3519/4885CA1 4413/4885CES1 4588/4885
US-20200255461-A1 METAL-FREE DIRECT ARYLATION OF DIALKYL PHOSPHONATES FOR THE SYNTHESIS OF MIXED ALKYL ARYL PHOSPHONATES SLC35B2, PPIP5K2, PPA1 CA2 1238/4885CA1 2467/4885CES1 2454/4885
US-10927135-B2 Metal-free direct arylation of dialkyl phosphonates for the synthesis of mixed alkyl aryl phosphonates SLC35B2, PPIP5K2, PPA1 CA2 1238/4885CA1 2467/4885CES1 2454/4885

“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.