SCHEMBL3619657

SCHEMBL3619657

COc1ccccc1NS(=O)(=O)c1ccc(N2CCN3CCC=C3C2)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
MAPT P10636 10/20 0.52
LMNA P02545 9/20 0.52
TDP1 Q9NUW8 7/20 0.52
HTT P42858 3/20 0.52
SMN1; SMN2 Q16637 7/20 0.51
MAPK1 P28482 7/20 0.51
L3MBTL1 Q9Y468 6/20 0.51
PKM P14618 1/20 0.51
GAA P10253 3/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
TP53 P04637 1/20 0.49
MCOLN2 Q8IZK6 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
MCOLN1 Q9GZU1 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 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
SCHEMBL3622985 0.86 GAA (0.50) ALDH1A1MAPTSMN1; SMN2L3MBTL1GAA
Hydrochloric Acid SCHEMBL6047571 0.85 GAA (0.49) ALDH1A1MAPTSMN1; SMN2L3MBTL1GAA
SCHEMBL3606675 0.85 LMNA (0.70) ALDH1A1MAPTLMNATDP1HTT
SCHEMBL3620354 0.84 MAPT (0.70) ALDH1A1MAPTLMNATDP1HTT
SCHEMBL3614698 0.82 ALDH1A1 (0.66) ALDH1A1MAPTLMNATDP1HTT
SCHEMBL3610254 0.78 ALDH1A1 (0.60) ALDH1A1MAPTLMNATDP1HTT
SCHEMBL3619654 0.78 ALDH1A1 (0.57) ALDH1A1MAPTLMNATDP1HTT
SCHEMBL3611184 0.74 ALDH1A1 (0.80) ALDH1A1MAPTLMNATDP1HTT
SCHEMBL3616529 0.72 ALDH1A1 (0.59) ALDH1A1MAPTLMNATDP1HTT
SCHEMBL3616526 0.72 ALDH1A1 (0.59) ALDH1A1MAPTLMNATDP1HTT

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 10 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
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

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.