SCHEMBL2805282

SCHEMBL2805282

[CH2]CN(CCO)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
GLA P06280 1/20 0.50
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 1/20 0.47
CNR2 P34972 4/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
MMP1 P03956 3/20 0.45
MMP7 P09237 3/20 0.45
MMP8 P22894 3/20 0.45
MMP12 P39900 3/20 0.45
MMP13 P45452 3/20 0.45
TAS2R14 Q9NYV8 1/20 0.43
MAPT P10636 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL218536 0.90 SMN1; SMN2 (0.68) SMN1; SMN2GLAALDH1A1KDM4EHSD17B10
SCHEMBL8192690 0.88 SMN1; SMN2 (0.66) SMN1; SMN2GLAALDH1A1KDM4EHSD17B10
SCHEMBL15177296 0.88 SMN1; SMN2 (0.66) SMN1; SMN2GLAALDH1A1KDM4EHSD17B10
SCHEMBL12390979 0.86 SMN1; SMN2 (0.64) SMN1; SMN2GLAALDH1A1KDM4EHSD17B10
SCHEMBL25245992 0.86 GLA (0.59) SMN1; SMN2GLACNR2GAAKEAP1
SCHEMBL14701542 0.85 SMN1; SMN2 (0.57) SMN1; SMN2GLAALDH1A1KDM4EHSD17B10
SCHEMBL23297778 0.83 SMN1; SMN2 (0.51) SMN1; SMN2GLAALDH1A1KDM4EHSD17B10
SCHEMBL12391143 0.82 SMN1; SMN2 (0.58) SMN1; SMN2GLACNR2NPC1GAA
SCHEMBL8626916 0.82 SMN1; SMN2 (0.58) SMN1; SMN2GLAALDH1A1KDM4EHSD17B10
SCHEMBL18410344 0.82 SMN1; SMN2 (0.58) SMN1; SMN2GLAALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222277-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-07-17 US disclosed
US-7754772-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX, S.A. (FR) 2010-07-13 US disclosed
EP-1539729-A4 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2008-02-20 EP disclosed
US-20050222243-A1 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED, INC. (US) 2005-10-06 US disclosed
EP-1539729-A2 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-06-15 EP disclosed
US-20040024057-A1 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use related applications NITROMED, INC. 2004-02-05 US disclosed
WO-2004004648-A2 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2004-01-15 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 (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-20040024057-A1 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use related applications NOS2, NOS1, NOS3 SMN1; SMN2 2727/4885GLA 2223/4885ALDH1A1 383/4885
US-20050222243-A1 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NOS2, NOS1, NOS3 SMN1; SMN2 2338/4885GLA 2593/4885ALDH1A1 385/4885

“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.