SCHEMBL3621035

SCHEMBL3621035

CC(C)(C)OC(=O)N1CCCN(c2ccc([N+](=O)[O-])c(NS(=O)(=O)c3ccccc3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.52
BCL2L1 Q07817 1/20 0.52
MAPT P10636 9/20 0.52
ALDH1A1 P00352 7/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
KDM4E B2RXH2 1/20 0.50
MET P08581 1/20 0.49
TGFBR1 P36897 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
DCTPP1 Q9H773 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL3619817 0.89 TGFBR1 (0.52) BCL2BCL2L1TGFBR1KMT2AMEN1
SCHEMBL3616980 0.86 TGFBR1 (0.50) MAPTALDH1A1LMNATGFBR1KMT2A
SCHEMBL3613446 0.86 TGFBR1 (0.49) BCL2BCL2L1TGFBR1KMT2AMEN1
SCHEMBL3622976 0.85 TGFBR1 (0.50) BCL2BCL2L1TGFBR1KMT2AMEN1
SCHEMBL5586223 0.84 TGFBR1 (0.50) BCL2BCL2L1TGFBR1KMT2AMEN1
SCHEMBL1748384 0.83 MAPT (0.73) BCL2BCL2L1MAPTALDH1A1LMNA
SCHEMBL3622518 0.82 TGFBR1 (0.53) MAPTALDH1A1LMNATGFBR1KMT2A
SCHEMBL3622833 0.81 LMNA (0.65) BCL2BCL2L1MAPTALDH1A1LMNA
SCHEMBL3615524 0.81 TGFBR1 (0.49) TGFBR1KMT2AMEN1GAA
SCHEMBL3613583 0.81 TGFBR1 (0.47) BCL2BCL2L1TGFBR1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718650-B2 Aryl sulfonamide compounds for treating obesity BIOVITRUM AB (SE) 2010-05-18 US disclosed
US-7566715-B2 Substituted sulfonamide compounds useful for the prophylaxis and treatment of conditions relating to obesity, type II diabetes and/or disorders of the central nervous system BIOVITRUM AB (SE) 2009-07-28 US disclosed
US-20080096873-A1 NEW COMPOUNDS BIOVITRUM AB, A SWEDEN CORPORATION 2008-04-24 US disclosed
US-7319097-B2 Treatment of type II diabetes with benzenesulfonamide substituted with an N-heterocycle: N-[2-amino-5-(1,4-diazepan-1-yl)phenyl]benzenesulfonamide, N-[4-amino-5-(piperazinyl)phenyl]benzenesulfonamide, 3-amino-4-(5-methyl-2,5-diaza-bicyclo[2.2.1]hept-2-yl)-N-phenyl-benzenesulfonamide hydrochloride BIOVITRUM AB (SE) 2008-01-15 US disclosed
US-7173035-B2 Arylsulfonamide compounds BIOVITRUM AB (SE) 2007-02-06 US disclosed
US-20060009446-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2006-01-12 US disclosed
US-20050288275-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2005-12-29 US disclosed
US-6969710-B2 Compounds BIOVITRUM AB (SE) 2005-11-29 US disclosed
EP-1406884-A1 ARYLSUSFONAMIDE COMPOUNDS FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS-DISORDERS BIOVITRUM AB (SE) 2004-04-14 EP disclosed
US-20030149020-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-07 US disclosed
US-20030149019-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-07 US disclosed
WO-2002092585-A1 NOVEL, ARYLSUSFONAMIDE COMPOUNDS FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS-DISORDERS BIOVITRUM AB (SE) 2002-11-21 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 (5 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-20030149020-A1 New compounds GPR119, SULT2A1, NAT1 BCL2 3609/4885BCL2L1 3646/4885MAPT 2577/4885
US-20030149019-A1 New compounds GPR119, SULT2A1, NAT1 BCL2 3609/4885BCL2L1 3646/4885MAPT 2577/4885
US-20060009446-A1 New compounds GPR119, SULT2A1, STS BCL2 3460/4885BCL2L1 3904/4885MAPT 2697/4885
US-20080096873-A1 NEW COMPOUNDS GPR119, SULT2A1, STS BCL2 3460/4885BCL2L1 3904/4885MAPT 2697/4885
US-20050288275-A1 New compounds GPR119, SULT2A1, STS BCL2 3460/4885BCL2L1 3904/4885MAPT 2697/4885

“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.