SCHEMBL3623679

SCHEMBL3623679

Cc1ccc(S(=O)(=O)N(C)c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
KEAP1 Q14145 3/20 0.44
CTDSP1 Q9GZU7 1/20 0.43
C5AR1 P21730 2/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BACE1 P56817 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
NFE2L2 Q16236 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP13 P45452 2/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
ADAM17 P78536 1/20 0.41
TGM2 P21980 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 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
Hydrochloric Acid SCHEMBL5550104 0.99 KMT2A (0.47) KMT2AMEN1KEAP1CTDSP1C5AR1
SCHEMBL4326912 0.91 KMT2A (0.47) KMT2AMEN1KEAP1BACE1NFE2L2
SCHEMBL6711233 0.91 KMT2A (0.48) KMT2AMEN1KEAP1CYP2C19SMN1; SMN2
SCHEMBL3613661 0.84 CTSB (0.43) KMT2AMEN1KEAP1CYP2C19SMN1; SMN2
SCHEMBL3621489 0.83 KMT2A (0.48) KMT2AMEN1KEAP1BACE1NFE2L2
SCHEMBL3624276 0.79 KMT2A (0.56) KMT2AMEN1KEAP1CYP2C19SMN1; SMN2
SCHEMBL3623092 0.79 C5AR1 (0.51) KEAP1C5AR1NFE2L2LMNATSHR
SCHEMBL3618632 0.79 BACE1 (0.45) KMT2ABACE1GPR119MAPK1TSHR
SCHEMBL29176267 0.73 HTR6 (0.63) KMT2AMEN1
SCHEMBL5363691 0.73 CHRM2 (0.50) KMT2AMEN1BACE1GPR119MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20070066599-A1 New compounds SULT2A1, GPR119, STS KMT2A 2359/4885MEN1 1733/4885KEAP1 1645/4885
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 KMT2A 1435/4885MEN1 2351/4885KEAP1 309/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 KMT2A 1776/4885MEN1 1316/4885KEAP1 1144/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS KMT2A 2359/4885MEN1 1733/4885KEAP1 1645/4885

“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.