SCHEMBL3625835

SCHEMBL3625835

Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCNCC2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.48
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
G6PD P11413 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR6 P50406 5/20 0.46
TRIM24 O15164 1/20 0.46
BRD1 O95696 1/20 0.46
BRPF1 P55201 1/20 0.46
KEAP1 Q14145 5/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
NFE2L2 Q16236 2/20 0.43
MCL1 Q07820 1/20 0.42
ACLY P53396 1/20 0.42

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 SCHEMBL1377641 0.99 BRD4 (0.48) BRD4MEN1GAAG6PDKMT2A
SCHEMBL3620788 0.87 BRD4 (0.56) BRD4MEN1GAAG6PDKMT2A
Hydrochloric Acid SCHEMBL1378477 0.86 BRD4 (0.55) BRD4MEN1GAAG6PDKMT2A
SCHEMBL1378290 0.85 BRD4 (0.57) BRD4MEN1GAAKMT2AHTR6
SCHEMBL1378253 0.84 HTR6 (0.54) BRD4HTR6KDM4EMAPTCYP3A4
SCHEMBL3623176 0.82 KEAP1 (0.64) BRD4MEN1KMT2AHTR6KEAP1
Hydrochloric Acid SCHEMBL1379130 0.81 KEAP1 (0.63) BRD4MEN1KMT2AHTR6KEAP1
SCHEMBL1377720 0.81 HTR6 (0.53) BRD4HTR6KEAP1NFE2L2ACLY
SCHEMBL1376878 0.81 HTR6 (0.48) BRD4MEN1KMT2AHTR6BRD1
SCHEMBL3614427 0.81 LMNA (0.52) MEN1KMT2AHTR6KEAP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 US claimed
US-7572787-B2 Substituted naphthalene sulfonamides BIOVITRUM AB (SE) 2009-08-11 US claimed
US-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2007-03-22 US 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
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 BRD4 2761/4885MEN1 1733/4885GAA 424/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 BRD4 2904/4885MEN1 1316/4885GAA 285/4885
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 BRD4 301/4885MEN1 2351/4885GAA 927/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 BRD4 2904/4885MEN1 1316/4885GAA 285/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS BRD4 2761/4885MEN1 1733/4885GAA 424/4885

“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.