SCHEMBL480564

SCHEMBL480564

O=[N+]([O-])c1c(S(=O)(=O)O)c([N+](=O)[O-])c2ccccc2c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.66
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CASP6 P55212 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2D6 P10635 1/20 0.39
CTSB P07858 1/20 0.39
NSD2 O96028 1/20 0.38
GAA P10253 1/20 0.38
PLCG1 P19174 1/20 0.38

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
SCHEMBL3191789 0.87 S100A4 (0.61) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28041851 0.86 S100A4 (0.50) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9672404 0.83 S100A4 (0.50) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9621885 0.80 S100A4 (0.83) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29849465 0.80 S100A4 (0.83) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10694724 0.80 S100A4 (0.47) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11132864 0.80 S100A4 (0.51) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27280773 0.79 S100A4 (0.50) S100A4GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL11753500 0.78 S100A4 (0.49) S100A4GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL11753496 0.78 S100A4 (0.49) S100A4GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178948-B1 NOVEL POLYUREA- AND/OR POLYURETHANE-POLYORGANOSILOXANE COMPOUNDS MOMENTIVE PERFORMANCE MAT GMBH (DE) 2017-04-05 EP disclosed
EP-2129704-B1 NOVEL POLYAMIDE-POLYSILOXANE COMPOUNDS MOMENTIVE PERFORMANCE MAT INC (DE) 2016-01-06 EP disclosed
US-8785587-B2 Polyurea- and/or polyurethane-polyorganosiloxane compounds MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2014-07-22 US disclosed
US-8742053-B2 Polyamide-polysiloxane compounds MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2014-06-03 US disclosed
US-8673985-B2 Polycarbonate-polyorganosiloxane- and/or polyurethane-polyorganosiloxane compounds MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2014-03-18 US disclosed
US-8491879-B2 Ammonium-polyurethane- and/or polycarbonate compounds MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2013-07-23 US disclosed
US-8410236-B2 Polycarbonate and/or polyurethane polyorganosiloxane compounds Momentive Performance Matierals GmbH (DE) 2013-04-02 US disclosed
EP-2257586-B1 NOVEL POLYCARBONATE POLYORGANOSILOXANE AND/OR POLYURETHANE POLYORGANOSILOXANE COMPOUNDS MOMENTIVE PERFORMANCE MAT INC (DE) 2012-02-01 EP disclosed
EP-2257585-B1 NOVEL AMMONIUM POLYURETHANE AND/OR POLYCARBONATE COMPOUNDS MOMENTIVE PERFORMANCE MAT INC (DE) 2011-11-09 EP disclosed
US-20110182844-A1 Novel Polyurea- and/or Polyurethane-Polyorganosiloxane Compounds MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2011-07-28 US disclosed
US-20110039948-A1 Novel Polycarbonate-Polyorganosiloxane- And/Or Polyurethane-Polyorganosiloxane Compounds MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2011-02-17 US disclosed
US-20110033411-A1 Novel Ammonium-Polyurethane- And/Or Polycarbonate Compounds MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2011-02-10 US disclosed
US-20100210809-A1 Polycarbonate And/Or Polyurethane Polyorganosiloxane Compounds MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2010-08-19 US disclosed
US-20100178266-A1 Process For The Manufacture Of Polyorganosiloxanes Comprising (C6-C60)-Alkylmethylsiloxy Groups And Dimethylsiloxy Groups MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2010-07-15 US disclosed
EP-2178948-A1 NOVEL POLYUREA- AND/OR POLYURETHANE-POLYORGANOSILOXANE COMPOUNDS Momentive Performance Materials GmbH (DE) 2010-04-28 EP disclosed
EP-2164891-A1 PROCESS FOR THE MANUFACTURE OF POLYORGANOSILOXANES COMPRISING (C6-C60)-ALKYLMETHYLSILOXY GROUPS AND DIMETHYLSILOXY GROUPS Momentive Performance Materials GmbH (DE) 2010-03-24 EP disclosed
US-20100044615-A1 Novel Polyamide-Polysiloxane Compounds MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2010-02-25 US disclosed
WO-2009021989-A1 NOVEL POLYUREA- AND/OR POLYURETHANE-POLYORGANOSILOXANE COMPOUNDS MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2009-02-19 WO disclosed
WO-2009003862-A1 PROCESS FOR THE MANUFACTURE OF POLYORGANOSILOXANES COMPRISING (C6-C60)-ALKYLMETHYLSILOXY GROUPS AND DIMETHYLSILOXY GROUPS MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2009-01-08 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 (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-20100044615-A1 Novel Polyamide-Polysiloxane Compounds PUF60, MUS81, PARG S100A4 4457/4885GRIN2D 2300/4885GRIN3B 2269/4885
US-20110039948-A1 Novel Polycarbonate-Polyorganosiloxane- And/Or Polyurethane-Polyorganosiloxane Compounds PUF60, ERCC4, XRCC5 S100A4 4082/4885GRIN2D 4874/4885GRIN3B 4875/4885
US-20110033411-A1 Novel Ammonium-Polyurethane- And/Or Polycarbonate Compounds PUF60, DDX3X, ATL3 S100A4 4589/4885GRIN2D 4059/4885GRIN3B 3663/4885
US-20110182844-A1 Novel Polyurea- and/or Polyurethane-Polyorganosiloxane Compounds PUF60, PBRM1, UFM1 S100A4 4826/4885GRIN2D 4867/4885GRIN3B 4877/4885

“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.