SCHEMBL3621735

SCHEMBL3621735

CCN(c1cc(N2CCCN(C(=O)O)CC2)ccc1[N+](=O)[O-])S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
ALDH1A1 P00352 7/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
DCTPP1 Q9H773 3/20 0.42
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
THRB P10828 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
SIRT6 Q8N6T7 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
SCHEMBL3621737 1.00 MAPT (0.43) MAPTALDH1A1POLBMAPK1DCTPP1
SCHEMBL3624076 0.78 MAPT (0.54) MAPTALDH1A1MAPK1DCTPP1HPGD
SCHEMBL3624079 0.78 MAPT (0.54) MAPTALDH1A1MAPK1DCTPP1HPGD
SCHEMBL16752986 0.77 MAPT (0.45) MAPTALDH1A1MAPK1DCTPP1NPSR1
SCHEMBL16752988 0.77 MAPT (0.45) MAPTALDH1A1MAPK1DCTPP1NPSR1
SCHEMBL20150155 0.75 HPGD (0.53) MAPTALDH1A1POLBMAPK1HPGD
SCHEMBL3613823 0.74 ALDH1A1 (0.54) MAPTALDH1A1POLBMAPK1NPSR1
SCHEMBL22095447 0.74 THRB (0.59) THRBSIRT6
SCHEMBL16262194 0.73 SIRT6 (0.54) MAPTALDH1A1MAPK1DCTPP1HPGD
SCHEMBL16262196 0.73 SIRT6 (0.54) MAPTALDH1A1MAPK1DCTPP1HPGD

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-20030149019-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-07 US disclosed
US-20030149020-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 MAPT 2577/4885ALDH1A1 438/4885POLB 3867/4885
US-20030149019-A1 New compounds GPR119, SULT2A1, NAT1 MAPT 2577/4885ALDH1A1 438/4885POLB 3867/4885
US-20060009446-A1 New compounds GPR119, SULT2A1, STS MAPT 2697/4885ALDH1A1 818/4885POLB 3841/4885
US-20080096873-A1 NEW COMPOUNDS GPR119, SULT2A1, STS MAPT 2697/4885ALDH1A1 818/4885POLB 3841/4885
US-20050288275-A1 New compounds GPR119, SULT2A1, STS MAPT 2697/4885ALDH1A1 818/4885POLB 3841/4885

“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.