SCHEMBL3613823

SCHEMBL3613823

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
MAPT P10636 7/20 0.54
LMNA P02545 4/20 0.54
MET P08581 1/20 0.47
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
GPR119 Q8TDV5 4/20 0.44
PDK2 Q15119 1/20 0.42
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C9 P11712 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
GAA P10253 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
SCHEMBL20150155 0.84 HPGD (0.53) ALDH1A1MAPTLMNAPOLBMAPK1
SCHEMBL5234769 0.82 MAPT (0.63) ALDH1A1MAPTLMNAMETPDK2
SCHEMBL26677530 0.81 ALDH1A1 (0.61) ALDH1A1MAPTLMNAMETPDK2
SCHEMBL13548454 0.81 MAPT (0.61) ALDH1A1MAPTLMNAMETPDK2
SCHEMBL26124496 0.81 HPGD (0.59) ALDH1A1MAPTLMNAPOLBMAPK1
SCHEMBL1919801 0.81 ALDH1A1 (0.60) ALDH1A1MAPTLMNAMETPDK2
SCHEMBL5234962 0.80 ALDH1A1 (0.63) ALDH1A1MAPTLMNAMETGPR119
SCHEMBL16270620 0.80 MAPT (0.71) ALDH1A1MAPTLMNAMETGPR119
SCHEMBL29858317 0.80 MAPT (0.71) ALDH1A1MAPTLMNAMETGPR119
SCHEMBL23293433 0.79 ALDH1A1 (0.65) ALDH1A1MAPTLMNAPOLBMAPK1

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 ALDH1A1 438/4885MAPT 2577/4885LMNA 3478/4885
US-20030149019-A1 New compounds GPR119, SULT2A1, NAT1 ALDH1A1 438/4885MAPT 2577/4885LMNA 3478/4885
US-20060009446-A1 New compounds GPR119, SULT2A1, STS ALDH1A1 818/4885MAPT 2697/4885LMNA 3475/4885
US-20080096873-A1 NEW COMPOUNDS GPR119, SULT2A1, STS ALDH1A1 818/4885MAPT 2697/4885LMNA 3475/4885
US-20050288275-A1 New compounds GPR119, SULT2A1, STS ALDH1A1 818/4885MAPT 2697/4885LMNA 3475/4885

“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.