SCHEMBL1377405

SCHEMBL1377405

O=S(=O)(Nc1cc2cccnc2c(N2CCNCC2)n1)c1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 10/20 0.54
▸ PRKD1 Q15139 1/20 0.43
▸ HSD11B1 P28845 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ HTR6 P50406 2/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ NMT1 P30419 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SCN9A Q15858 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
Trifluoroacetic Acid SCHEMBL6047104 0.92 SLC40A1 (0.47) SLC40A1PRKD1HSD11B1CYP3A4PPARG
SCHEMBL3616367 0.82 HTR6 (0.51) PRKD1HSD11B1CYP3A4HTR6HTR1A
SCHEMBL7045097 0.82 SLC40A1 (0.49) SLC40A1PRKD1HTR6HTR1ADRD2
SCHEMBL7045566 0.80 PRKD1 (0.49) PRKD1CYP3A4HTR6HTR1ADRD2
SCHEMBL1379328 0.79 TDP1 (0.50) SLC40A1PRKD1HTR6NMT1MEN1
SCHEMBL3616470 0.79 MEN1 (0.50) SLC40A1PRKD1HTR6HTR1AHTR7
SCHEMBL1380555 0.78 NFKBIA (0.51) PRKD1MEN1KMT2A
SCHEMBL3623702 0.76 SLC40A1 (0.58) SLC40A1PRKD1HSD11B1HTR6SCN9A
SCHEMBL1380902 0.76 GLO1 (0.51) PRKD1HSD11B1HTR6HTR1ADRD2
Trifluoroacetic Acid SCHEMBL1380631 0.76 HTR6 (0.45) SLC40A1PRKD1HSD11B1HTR6HTR1A

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
JP-4731114-B2 — — 2011-07-20 — — JP claimed
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 — — US claimed
US-20070066598-A1 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
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

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 SLC40A1 1844/4885PRKD1 4439/4885HSD11B1 673/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 SLC40A1 1674/4885PRKD1 4705/4885HSD11B1 570/4885
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 SLC40A1 2872/4885PRKD1 4604/4885HSD11B1 1427/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 SLC40A1 1674/4885PRKD1 4705/4885HSD11B1 570/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS SLC40A1 1844/4885PRKD1 4439/4885HSD11B1 673/4885

“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.

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