SCHEMBL296555

SCHEMBL296555

CC([O])OC(=O)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
USP2 O75604 1/20 0.52
RECQL P46063 2/20 0.49
PKM P14618 1/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.43
CYP3A4 P08684 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL12206737 0.86 TSHR (0.55) TSHRSMN1; SMN2USP2RECQLPKM
SCHEMBL697035 0.84 TSHR (0.53) TSHRSMN1; SMN2USP2RECQLPKM
SCHEMBL17894913 0.84 TSHR (0.53) TSHRSMN1; SMN2USP2RECQLPKM
SCHEMBL28738104 0.82 TSHR (0.52) TSHRSMN1; SMN2USP2RECQLPKM
SCHEMBL21070421 0.82 TSHR (0.52) TSHRSMN1; SMN2USP2RECQLPKM
SCHEMBL19500285 0.79 SMN1; SMN2 (0.56) TSHRSMN1; SMN2USP2RECQLPKM
SCHEMBL17212822 0.79 TSHR (0.49) TSHRSMN1; SMN2USP2RECQLPKM
SCHEMBL28579993 0.79 TSHR (0.53) TSHRSMN1; SMN2USP2RECQLPKM
SCHEMBL28692729 0.78 TSHR (0.51) TSHRSMN1; SMN2USP2RECQLPKM
SCHEMBL28795352 0.78 TSHR (0.51) TSHRSMN1; SMN2USP2RECQLPKM

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 TSHR 1657/4885SMN1; SMN2 2294/4885USP2 3424/4885
US-20070155748-A1 N-sulfonyl-alpha-amino-acid derivatives C3AR1, GLRA1, C5AR1 TSHR 1018/4885SMN1; SMN2 3269/4885USP2 3820/4885

“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.