SCHEMBL829911

SCHEMBL829911

O=C(COc1ccc([N+](=O)[O-])cc1)OCCO

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.57
MAPT P10636 5/20 0.52
KMT2A Q03164 4/20 0.52
GAA P10253 1/20 0.52
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
POLB P06746 2/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ENPP2 Q13822 2/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTPN7 P35236 1/20 0.49
PTPN12 Q05209 1/20 0.49
PTPN22 Q9Y2R2 1/20 0.49

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
SCHEMBL832731 0.92 PTGS2 (0.61) PTGS2MAPTKMT2AGAACRHBP
SCHEMBL16261823 0.88 PTGS2 (0.57) PTGS2MAPTKMT2AGAACRHBP
SCHEMBL13056614 0.88 PTGS2 (0.59) PTGS2MAPTKMT2APOLBPKM
SCHEMBL56460 0.85 MAPT (0.58) PTGS2MAPTGAACRHBPCRHR2
SCHEMBL27517821 0.85 MAPT (0.59) PTGS2MAPTKMT2ACRHBPCRHR2
SCHEMBL831165 0.84 MAPT (0.56) MAPTKMT2AGAACRHBPCRHR2
SCHEMBL17083542 0.84 MAPT (0.64) PTGS2MAPTKMT2AGAAPKM
SCHEMBL656776 0.83 PTGS2 (0.66) PTGS2MAPTKMT2AGAACRHBP
SCHEMBL15396053 0.81 PTGS2 (0.50) PTGS2MAPTKMT2AGAACRHBP
SCHEMBL11605368 0.81 PTPN7 (0.69) PTGS2MAPTKMT2AGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45548-E1 Functionalized drugs and polymers derived therefrom BEZWADA BIOMEDICAL, LLC (US) 2015-06-09 US disclosed
US-RE45548-E1 Functionalized drugs and polymers derived therefrom BEZWADA BIOMEDICAL, LLC (US) 2015-06-09 US disclosed
US-RE45548-E1 Functionalized drugs and polymers derived therefrom BEZWADA BIOMEDICAL, LLC (US) 2015-06-09 US disclosed
US-8846845-B2 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL, LLC (US) 2014-09-30 US disclosed
US-8846845-B2 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL, LLC (US) 2014-09-30 US disclosed
US-8846845-B2 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL, LLC (US) 2014-09-30 US disclosed
EP-2298235-B1 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL LLC (US) 2013-11-06 EP disclosed
US-8409559-B2 Functionalized drugs and polymers derived therefrom Bezwada Biomedical, Inc. (US) 2013-04-02 US disclosed
US-8409559-B2 Functionalized drugs and polymers derived therefrom Bezwada Biomedical, Inc. (US) 2013-04-02 US disclosed
US-8409559-B2 Functionalized drugs and polymers derived therefrom Bezwada Biomedical, Inc. (US) 2013-04-02 US disclosed
US-7691364-B2 Functionalized drugs and polymers derived therefrom BEZWADA BIOMEDICAL, LLC (US) 2010-04-06 US disclosed
EP-1937182-A4 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES BEZWADA BIOMEDICAL LLC (US) 2009-07-15 EP disclosed
EP-1937182-A2 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES Bezwada Biomedical LLC (US) 2008-07-02 EP disclosed
EP-1931334-A2 FUNCTIONALIZED DRUGS AND POLYMERS DERIVED THEREFROM Bezwada Biomedical LLC (US) 2008-06-18 EP disclosed
WO-2007030538-A2 FUNCTIONALIZED DRUGS AND POLYMERS DERIVED THEREFROM BEZWADA BIOMEDICAL LLC (US) 2007-03-15 WO disclosed
WO-2007030538-A2 FUNCTIONALIZED DRUGS AND POLYMERS DERIVED THEREFROM BEZWADA BIOMEDICAL LLC (US) 2007-03-15 WO disclosed
WO-2007030464-A2 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES BEZWADA BIOMEDICAL LLC (US) 2007-03-15 WO disclosed
WO-2007030464-A2 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES BEZWADA BIOMEDICAL LLC (US) 2007-03-15 WO disclosed
US-20060188547-A1 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL, LLC (US) 2006-08-24 US disclosed
US-20060172983-A1 Functionalized drugs and polymers derived therefrom BEZWADA BIOMEDICAL, LLC (US) 2006-08-03 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 (1 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-20060172983-A1 Functionalized drugs and polymers derived therefrom OGFR, LOX, OPRM1 PTGS2 1363/4885MAPT 579/4885KMT2A 3676/4885

“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.