SCHEMBL832731

SCHEMBL832731

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

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.61
MAPT P10636 4/20 0.59
GAA P10253 1/20 0.59
KMT2A Q03164 3/20 0.56
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
KCNH2 Q12809 3/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
PKM P14618 1/20 0.53
MAOB P27338 1/20 0.52
AOC3 Q16853 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL16261823 0.95 PTGS2 (0.57) PTGS2MAPTGAAKMT2ACRHBP
SCHEMBL829911 0.92 PTGS2 (0.57) PTGS2MAPTGAAKMT2ACRHBP
SCHEMBL17083542 0.91 MAPT (0.64) PTGS2MAPTGAAKMT2AMEN1
SCHEMBL27517821 0.90 MAPT (0.59) PTGS2MAPTKMT2ACRHBPCRHR2
SCHEMBL13056614 0.89 PTGS2 (0.59) PTGS2MAPTKMT2AMEN1POLB
SCHEMBL15396053 0.88 PTGS2 (0.50) PTGS2MAPTGAAKMT2ACRHBP
SCHEMBL656776 0.87 PTGS2 (0.66) PTGS2MAPTGAAKMT2ACRHBP
SCHEMBL830970 0.87 PTGS2 (0.52) PTGS2MAPTGAAKMT2ACRHBP
SCHEMBL11605368 0.85 PTPN7 (0.69) PTGS2MAPTGAAKMT2AMEN1
SCHEMBL13224177 0.84 PTGS2 (0.56) PTGS2MAPTKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160023998-A1 HYDROLYSABLE LINKERS AND CROSS-LINKERS FOR ABSORBABLE POLYMERS BEZWADA BIOMEDICAL LLC (US) 2016-01-28 US disclosed
US-20160023998-A1 HYDROLYSABLE LINKERS AND CROSS-LINKERS FOR ABSORBABLE POLYMERS BEZWADA BIOMEDICAL LLC (US) 2016-01-28 US disclosed
US-20160023998-A1 HYDROLYSABLE LINKERS AND CROSS-LINKERS FOR ABSORBABLE POLYMERS BEZWADA BIOMEDICAL LLC (US) 2016-01-28 US disclosed
US-9174924-B2 Hydrolysable linkers and cross-linkers for absorbable polymers BEZWADA BIOMEDICAL, LLC (US) 2015-11-03 US disclosed
US-20150259275-A1 HYDROLYSABLE LINKERS AND CROSS-LINKERS FOR ABSORBABLE POLYMERS BEZWADA BIOMEDICAL LLC (US) 2015-09-17 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-RE45548-E1 Functionalized drugs and polymers derived therefrom BEZWADA BIOMEDICAL, LLC (US) 2015-06-09 US disclosed
US-9045396-B2 Hydrolysable linkers and cross-linkers for absorbable polymers BEZWADA BIOMEDICAL, LLC (US) 2015-06-02 US disclosed
US-9045396-B2 Hydrolysable linkers and cross-linkers for absorbable polymers BEZWADA BIOMEDICAL, LLC (US) 2015-06-02 US disclosed
US-20090082540-A1 HYDROLYSABLE LINKERS AND CROSS-LINKERS FOR ABSORBABLE POLYMERS BEZWADA BIOMEDICAL, LLC (US) 2009-03-26 US disclosed
US-20090082540-A1 HYDROLYSABLE LINKERS AND CROSS-LINKERS FOR ABSORBABLE POLYMERS BEZWADA BIOMEDICAL, LLC (US) 2009-03-26 US disclosed
US-20090082540-A1 HYDROLYSABLE LINKERS AND CROSS-LINKERS FOR ABSORBABLE POLYMERS BEZWADA BIOMEDICAL, LLC (US) 2009-03-26 US 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-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 (4 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-20150259275-A1 HYDROLYSABLE LINKERS AND CROSS-LINKERS FOR ABSORBABLE POLYMERS SI, KDM8, APEH PTGS2 927/4885MAPT 3531/4885GAA 429/4885
US-20090082540-A1 HYDROLYSABLE LINKERS AND CROSS-LINKERS FOR ABSORBABLE POLYMERS SI, KDM8, APEH PTGS2 927/4885MAPT 3531/4885GAA 429/4885
US-20160023998-A1 HYDROLYSABLE LINKERS AND CROSS-LINKERS FOR ABSORBABLE POLYMERS SI, KDM8, APEH PTGS2 927/4885MAPT 3531/4885GAA 429/4885
US-20060172983-A1 Functionalized drugs and polymers derived therefrom OGFR, LOX, OPRM1 PTGS2 1363/4885MAPT 579/4885GAA 804/4885

“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.