SCHEMBL296556

SCHEMBL296556

[O]CCOC(=O)N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
LMNA P02545 2/20 0.64
POLB P06746 2/20 0.64
TSHR P16473 3/20 0.63
RECQL P46063 1/20 0.58
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
USP2 O75604 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.45
TP53 P04637 2/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL1148099 0.84 SMN1; SMN2 (0.64) SMN1; SMN2LMNAPOLBTSHRRECQL
SCHEMBL465225 0.82 SMN1; SMN2 (0.77) SMN1; SMN2LMNAPOLBTSHRRECQL
SCHEMBL28583310 0.82 SMN1; SMN2 (0.62) SMN1; SMN2LMNAPOLBTSHRRECQL
SCHEMBL6355623 0.82 SMN1; SMN2 (0.62) SMN1; SMN2LMNAPOLBTSHRRECQL
SCHEMBL18210956 0.82 TSHR (0.66) SMN1; SMN2LMNAPOLBTSHRRECQL
SCHEMBL14180427 0.81 SMN1; SMN2 (0.65) SMN1; SMN2LMNAPOLBTSHRRECQL
SCHEMBL17111218 0.81 SMN1; SMN2 (0.70) SMN1; SMN2LMNAPOLBTSHRRECQL
SCHEMBL17111209 0.79 SMN1; SMN2 (0.58) SMN1; SMN2LMNAPOLBTSHRRECQL
SCHEMBL18358014 0.79 SMN1; SMN2 (0.58) SMN1; SMN2LMNAPOLBTSHRRECQL
SCHEMBL14855841 0.79 SMN1; SMN2 (0.68) SMN1; SMN2LMNAPOLBTSHRRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884103-B2 such as N-(4-Chloro-phenyl)-2-methyl-2-phenylmethanesulfonylamino-3-(4-[1,2,4]triazol-1-yl-phenoxy)-propionamide, used for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi SYNGENTA CROP PROTECTION, INC. (US) 2011-02-08 US claimed
EP-1513802-B1 ALPHA-SULFONYLAMINO-ACETONITRILES SYNGENTA PARTICIPATIONS AG (CH) 2009-08-19 EP claimed
US-7368479-B2 Alpha-sulfonylamino-acetonitriles SYNGENTA CROP PROTECTION, INC. (US) 2008-05-06 US claimed
US-20070155748-A1 N-sulfonyl-alpha-amino-acid derivatives SYNGENTA CROP PROTECTION, INC. 2007-07-05 US claimed
JP-2007504108-A 2007-03-01 JP claimed
EP-1660441-A2 N-SULFONYL-ALPHA-AMINO-ACID DERIVATIVES Syngenta Participations AG (CH) 2006-05-31 EP claimed
US-20050234125-A1 Alpha-sulfonylamino-acetonitriles SYNGENTA CROP PROTECTION AG (CH) 2005-10-20 US claimed
EP-1513802-A1 ALPHA-SULFONYLAMINO-ACETONITRILES Syngenta Participations AG (CH) 2005-03-16 EP claimed
WO-2005021490-A2 N-SULFONYL-α-AMINO-ACID DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2005-03-10 WO claimed
WO-2004000797-A1 ALPHA-SULFONYLAMINO-ACETONITRILES SYNGENTA PARTICIPATIONS AG (CH) 2003-12-31 WO claimed
EP-1147104-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2012-03-14 EP disclosed
US-7884103-B2 such as N-(4-Chloro-phenyl)-2-methyl-2-phenylmethanesulfonylamino-3-(4-[1,2,4]triazol-1-yl-phenoxy)-propionamide, used for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi SYNGENTA CROP PROTECTION, INC. (US) 2011-02-08 US disclosed
EP-1513802-B1 ALPHA-SULFONYLAMINO-ACETONITRILES SYNGENTA PARTICIPATIONS AG (CH) 2009-08-19 EP disclosed
US-7368479-B2 Alpha-sulfonylamino-acetonitriles SYNGENTA CROP PROTECTION, INC. (US) 2008-05-06 US disclosed
US-20070155748-A1 N-sulfonyl-alpha-amino-acid derivatives SYNGENTA CROP PROTECTION, INC. 2007-07-05 US disclosed
US-6492529-B1 PHARMACEUTIC COMPOSITIONS FOR TREATING DISEASES OR PATHOLOGICAL CONDITIONS INVOLVING INFLAMMATION SUCH AS CHRONIC INFLAMMATORY DISEASES. BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-12-10 US disclosed
US-6372773-B1 TREATMENT OF INFLAMMATION, ARTHRITIS WITH UREA OR THIOUREA HETEROCYCLES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-04-16 US disclosed
US-6333325-B1 ADMINISTERING PYRAZOLE DERIVATIVE OF UREA OR THIOUREA FOR THERAPY OF CYTOKINE MEDIATED DISEASE SUCH AS ACTUATE AND CHRONIC PAIN, CONTACT DERMATITIS, ATHEROSCLEROSIS, GLOMERULONEPHRITIS, REPERFUSION INJURY, BONE RESORPTION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-12-25 US disclosed
US-6329415-B1 INHIBIT RELEASE OF INFLAMMATORY CYTOKINES SUCH AS INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-12-11 US disclosed
US-6319921-B1 FOR TREATMENT OF RHEUMATOID ARTHRITIS, MULTIPLE SCLEROSIS, GUILLAIN-BARRE SYNDROME, CROHN'S DISEASE ULCERATIVE COLITIS, PSORIASIS, GRAFT VERSUS HOST DISEASE, SYSTEMIC LUPUS ERYTHEMATOSUS AND DIABETES BOERHINGER INGELHEIM PHARMACEUTICALS, INC. 2001-11-20 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-20050234125-A1 Alpha-sulfonylamino-acetonitriles C3AR1, C1S, C5 SMN1; SMN2 2294/4885LMNA 1938/4885POLB 4253/4885
US-20070155748-A1 N-sulfonyl-alpha-amino-acid derivatives C3AR1, GLRA1, C5AR1 SMN1; SMN2 3269/4885LMNA 3821/4885POLB 4770/4885

“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.