SCHEMBL3621733

SCHEMBL3621733

COc1cc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2NS(=O)(=O)c2ccccc2)ccc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.58
HTR6 P50406 5/20 0.53
GFER P55789 1/20 0.49
MCOLN2 Q8IZK6 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
MCOLN1 Q9GZU1 1/20 0.49
GHSR Q92847 4/20 0.48
TRIM24 O15164 1/20 0.48
BRD1 O95696 1/20 0.47
BRPF1 P55201 1/20 0.47
BRPF3 Q9ULD4 1/20 0.47
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 0.46
DRD3 P35462 1/20 0.46
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45

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
Hydrochloric Acid SCHEMBL3624472 0.99 RAD52 (0.60) RAD52HTR6GFERMCOLN2MCOLN3
SCHEMBL3619818 0.92 HTR6 (0.58) RAD52HTR6MCOLN2MCOLN3MCOLN1
Hydrochloric Acid SCHEMBL3611439 0.91 HTR6 (0.57) RAD52HTR6MCOLN2MCOLN3MCOLN1
SCHEMBL3618492 0.82 KEAP1 (0.51) RAD52HTR6GHSRBRPF1HTR1A
Hydrochloric Acid SCHEMBL3622136 0.82 RAD52 (0.53) RAD52HTR6GHSRBRPF1HTR1A
SCHEMBL4314518 0.77 RAD52 (0.52) RAD52HTR6HTR1AHTR2AHTR2C
SCHEMBL3625351 0.76 RAD52 (0.57) RAD52HTR6HTR1AHTR2AHTR2C
SCHEMBL3618341 0.76 RAD52 (0.64) RAD52HTR6HTR1AHTR2AHTR2C
SCHEMBL3148917 0.76 HTR6 (0.60) RAD52HTR6HTR2AKMT2AGAA
SCHEMBL3613394 0.76 HTR6 (0.53) HTR6MCOLN2MCOLN3MCOLN1GHSR

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-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 claimed
US-7173035-B2 Arylsulfonamide compounds BIOVITRUM AB (SE) 2007-02-06 US claimed
US-20050288275-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2005-12-29 US claimed
EP-1406884-A1 ARYLSUSFONAMIDE COMPOUNDS FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS-DISORDERS BIOVITRUM AB (SE) 2004-04-14 EP claimed
US-20030149019-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-07 US claimed
US-20030149020-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-07 US claimed
WO-2002092585-A1 NOVEL, ARYLSUSFONAMIDE COMPOUNDS FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS-DISORDERS BIOVITRUM AB (SE) 2002-11-21 WO claimed
US-7718650-B2 Aryl sulfonamide compounds for treating obesity BIOVITRUM AB (SE) 2010-05-18 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-20050288275-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2005-12-29 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 (4 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 RAD52 4378/4885HTR6 436/4885GFER 1485/4885
US-20030149019-A1 New compounds GPR119, SULT2A1, NAT1 RAD52 4378/4885HTR6 436/4885GFER 1485/4885
US-20080096873-A1 NEW COMPOUNDS GPR119, SULT2A1, STS RAD52 4216/4885HTR6 484/4885GFER 1238/4885
US-20050288275-A1 New compounds GPR119, SULT2A1, STS RAD52 4216/4885HTR6 484/4885GFER 1238/4885

“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.