SCHEMBL847472

SCHEMBL847472

CC1(C(=O)OCCSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])COC(=O)OC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
ALDH1A1 P00352 3/20 0.52
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
FAAH O00519 6/20 0.40
MGLL Q99685 6/20 0.40
CA2 P00918 2/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL10314810 0.91 ALDH1A1 (0.41) MAPTALDH1A1CA2GAATDP1
SCHEMBL14978764 0.90 MAPT (0.47) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL5330200 0.76 MAPT (0.58) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL832001 0.70 ALDH1A1 (0.71) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL9050843 0.69 MAPT (1.00) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL10126435 0.69 MAPT (0.57) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL5802564 0.68 MAPT (0.62) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL9051152 0.67 MAPT (0.84) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL8973769 0.67 TXNRD1 (0.66) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL9049334 0.66 MAPT (0.82) MAPTALDH1A1TXNRD1TXNRD3TXNRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940855-B2 Polymers bearing pendant pentafluorophenyl ester groups, and methods of synthesis and functionalization thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-01-27 US disclosed
US-8940855-B2 Polymers bearing pendant pentafluorophenyl ester groups, and methods of synthesis and functionalization thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-01-27 US disclosed
US-8779166-B2 Polymers bearing pendant pentafluorophenyl ester groups, and methods of synthesis and functionalization thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-07-15 US disclosed
US-8779166-B2 Polymers bearing pendant pentafluorophenyl ester groups, and methods of synthesis and functionalization thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-07-15 US disclosed
US-8642787-B2 Surface modified nanoparticles, methods of their preparation, and uses thereof for gene and drug delivery INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-02-04 US disclosed
US-8642787-B2 Surface modified nanoparticles, methods of their preparation, and uses thereof for gene and drug delivery INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-02-04 US disclosed
US-20130217853-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-08-22 US disclosed
US-20130217853-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-08-22 US disclosed
US-8455612-B2 Polymers bearing pendant pentafluorophenyl ester groups, and methods of synthesis and functionalization thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-06-04 US disclosed
US-8455612-B2 Polymers bearing pendant pentafluorophenyl ester groups, and methods of synthesis and functionalization thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-06-04 US disclosed
US-20120172559-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-07-05 US disclosed
US-20120172559-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-07-05 US disclosed
US-20120172602-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-07-05 US disclosed
US-20120172602-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-07-05 US disclosed
US-8143369-B2 Polymers bearing pendant pentafluorophenyl ester groups, and methods of synthesis and functionalization thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-03-27 US disclosed
US-8143369-B2 Polymers bearing pendant pentafluorophenyl ester groups, and methods of synthesis and functionalization thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-03-27 US disclosed
US-20110182996-A1 SURFACE MODIFIED NANOPARTICLES, METHODS OF THEIR PREPARATION, AND USES THEREOF FOR GENE AND DRUG DELIVERY INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-07-28 US disclosed
US-20110182996-A1 SURFACE MODIFIED NANOPARTICLES, METHODS OF THEIR PREPARATION, AND USES THEREOF FOR GENE AND DRUG DELIVERY INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-07-28 US disclosed
US-20100305281-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-12-02 US disclosed
US-20100305281-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-12-02 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-20110182996-A1 SURFACE MODIFIED NANOPARTICLES, METHODS OF THEIR PREPARATION, AND USES THEREOF FOR GENE AND DRUG DELIVERY ABCB7, CD63, ITGB3 MAPT 2933/4885ALDH1A1 655/4885TXNRD1 1238/4885
US-20100305281-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF PFAS, PAM, PCNA MAPT 808/4885ALDH1A1 618/4885TXNRD1 4083/4885
US-20120172602-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF PFAS, PAM, PCNA MAPT 808/4885ALDH1A1 618/4885TXNRD1 4083/4885

“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.