SCHEMBL1380690

SCHEMBL1380690

Cc1ccc(S(=O)(=O)Nc2cc3ccccc3c(N3CCN(C)CC3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.51
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 4/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
RAD52 P43351 1/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
HTR1A P08908 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
DRD3 P35462 1/20 0.45
HTR6 P50406 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
SCHEMBL1381190 0.92 HTR3A (0.51) KDM4EALDH1A1TP53GAAHPGD
SCHEMBL1379060 0.90 HTR6 (0.47) GBA1KDM4EMAPTHTTALDH1A1
SCHEMBL1378323 0.87 ALDH1A1 (0.49) KDM4EMAPTHTTALDH1A1TP53
SCHEMBL1379933 0.86 SCN9A (0.47) GBA1ALDH1A1TP53GAAHPGD
SCHEMBL1383478 0.86 HTR3A (0.44) GBA1MAPTHTTALDH1A1RAD52
SCHEMBL3615298 0.84 MEN1 (0.52) GBA1KDM4EALDH1A1HTR1AHTR2A
SCHEMBL3623707 0.82 HTR6 (0.46) KDM4EALDH1A1TP53GAAHPGD
SCHEMBL1378481 0.82 KEAP1 (0.51) GBA1MAPTHTR1AHTR2AHTR2C
SCHEMBL1380811 0.82 SCN9A (0.49) GBA1HTR1AHTR2AHTR2CHTR7
Hydrochloric Acid SCHEMBL1380936 0.81 HTR6 (0.45) ALDH1A1TP53GAAHPGDHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4731114-B2 2011-07-20 JP claimed
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 US claimed
US-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US claimed
EP-1412325-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2004-04-28 EP claimed
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-21 US claimed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 WO claimed
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 US disclosed
US-7572787-B2 Substituted naphthalene sulfonamides BIOVITRUM AB (SE) 2009-08-11 US disclosed
US-20070066598-A1 Compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2007-03-22 US disclosed
US-7144883-B2 Bicyclic sulfonamide compounds BIOVITRUM AB (SE) 2006-12-05 US disclosed
EP-1412325-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2004-04-28 EP disclosed
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-21 US disclosed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 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-20070066599-A1 New compounds SULT2A1, GPR119, STS GBA1 119/4885KDM4E 3591/4885MAPT 3274/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 GBA1 133/4885KDM4E 3286/4885MAPT 3055/4885
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders SULT2A1, SULT1A1, SULT1E1 GBA1 461/4885KDM4E 3527/4885MAPT 1761/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 GBA1 133/4885KDM4E 3286/4885MAPT 3055/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS GBA1 119/4885KDM4E 3591/4885MAPT 3274/4885

“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.