SCHEMBL3480872

SCHEMBL3480872

O=C(O)COc1ccc([N+](=O)[O-])cc1OCC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.69
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 5/20 0.49
POLB P06746 2/20 0.49
CYP1A2 P05177 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
AKR1B1 P15121 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
CRHBP P24387 1/20 0.45
HTT P42858 1/20 0.45
CRHR2 Q13324 1/20 0.45
CYP19A1 P11511 1/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL6921762 0.91 PTGDR2 (0.63) PTGDR2MEN1KMT2AMAPTPOLB
SCHEMBL1531280 0.91 PTGDR2 (0.63) PTGDR2MEN1KMT2AMAPTPOLB
SCHEMBL6573349 0.89 PTGDR2 (0.64) PTGDR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7476491 0.89 PTGDR2 (0.64) PTGDR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10896752 0.87 PTGDR2 (0.62) PTGDR2MEN1KMT2AMAPTPOLB
SCHEMBL31324800 0.87 PTGDR2 (0.62) PTGDR2MEN1KMT2AMAPTCYP1A2
SCHEMBL10788762 0.87 MEN1 (0.66) PTGDR2MEN1KMT2AMAPTCYP1A2
SCHEMBL6573363 0.87 PTGDR2 (0.66) PTGDR2MEN1KMT2AMAPTPOLB
SCHEMBL3010136 0.86 PTGDR2 (0.60) PTGDR2MEN1KMT2AMAPTPOLB
SCHEMBL1025344 0.86 PTGDR2 (0.64) PTGDR2MEN1KMT2AMAPTPOLB

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP disclosed
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US disclosed
US-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE 92229129 QUEBEC INC. (CA) 2010-12-16 US disclosed
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 US disclosed
EP-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 EP disclosed
EP-2024376-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE Merck & Co., Inc. (US) 2009-02-18 EP disclosed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 WO disclosed
WO-2007139729-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2007-12-06 WO disclosed
US-5922717-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0575139-B1 Fluorogenic reagents for detection of glycoconjugates alpha-ketoacids and diketones INDIANA UNIVERSITY FOUNDATION (US) 1996-10-23 EP disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed
US-5310682-A Fluorogenic reagents for detection of glycoconjugates, α-ketoacids and diketones INDIANA UNIVERSITY FOUNDATION (US) 1994-05-10 US disclosed
EP-0575139-A1 Fluorogenic reagents for detection of glycoconjugates alpha-ketoacids and diketones INDIANA UNIVERSITY FOUNDATION (US) 1993-12-22 EP disclosed
US-4307213-A DIESTERS OF CATECHOL ACT AS ACCELERATORS GENERAL ELECTRIC COMPANY (US) 1981-12-22 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 (2 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-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MGAM, BPGM, PPME1 PTGDR2 4042/4885MEN1 3104/4885KMT2A 2187/4885
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS PTGDR2 4733/4885MEN1 2900/4885KMT2A 1158/4885

“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.