SCHEMBL3616331

SCHEMBL3616331

CN1CCCN(c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)c3ccccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PKM P14618 2/20 0.48
TSHR P16473 1/20 0.47
GFER P55789 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RAD52 P43351 2/20 0.45
HTR6 P50406 3/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
KEAP1 Q14145 4/20 0.43
NFE2L2 Q16236 3/20 0.43
GAA P10253 2/20 0.43
MGAT2 Q10469 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL3621444 0.88 BRD4 (0.50) LMNASMN1; SMN2PKMTSHRKMT2A
SCHEMBL1379202 0.80 HTR6 (0.45) LMNASMN1; SMN2PKMGFERKMT2A
SCHEMBL1377654 0.71 LMNA (0.46) LMNASMN1; SMN2PKMHTR6ALDH1A1
SCHEMBL3619643 0.71 SMN1; SMN2 (0.64) LMNASMN1; SMN2PKMTSHRMEN1
SCHEMBL3618636 0.71 LMNA (0.92) LMNASMN1; SMN2PKMMEN1KMT2A
SCHEMBL1381404 0.71 HTR6 (0.57) HTR6L3MBTL1GAA
SCHEMBL6186649 0.71 HTR6 (0.64) MEN1KMT2AHTR6ALDH1A1KEAP1
SCHEMBL3623176 0.70 KEAP1 (0.64) PKMMEN1KMT2AHTR6ALDH1A1
Hydrochloric Acid SCHEMBL3616820 0.70 SMN1; SMN2 (0.63) LMNASMN1; SMN2PKMTSHRMEN1
Hydrochloric Acid SCHEMBL6191281 0.70 HTR6 (0.62) MEN1KMT2AHTR6ALDH1A1KEAP1

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 9 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-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 LMNA 3860/4885SMN1; SMN2 389/4885PKM 1572/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 LMNA 3321/4885SMN1; SMN2 248/4885PKM 1246/4885
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 LMNA 3411/4885SMN1; SMN2 350/4885PKM 2055/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 LMNA 3321/4885SMN1; SMN2 248/4885PKM 1246/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS LMNA 3860/4885SMN1; SMN2 389/4885PKM 1572/4885

“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.