Sugi Predict

Sugi Predict / Compounds / SCHEMBL3621063

SCHEMBL3621063

SCHEMBL3621063

O=S(=O)(O)c1ccc(N2CCCNCC2)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 12/20 0.64
▸ NCF1 P14598 3/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ CYP2D6 P10635 3/20 0.47
▸ NFKB1 P19838 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ MTOR P42345 2/20 0.47
▸ HTR3E A5X5Y0 1/20 0.47
▸ HTR3B O95264 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ HTR1D P28221 1/20 0.47
▸ HTR1B P28222 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ HTR3A P46098 1/20 0.47
▸ HTR5A P47898 1/20 0.47
▸ HTR3D Q70Z44 1/20 0.47
▸ HTR3C Q8WXA8 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47

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 SCHEMBL6763956 0.99 HTR6 (0.62) HTR6NCF1CYP1A2CYP2D6NFKB1
SCHEMBL3617122 0.94 HTR6 (0.70) HTR6NCF1CYP1A2CYP2D6NFKB1
Hydrochloric Acid SCHEMBL6712677 0.93 HTR6 (0.68) HTR6NCF1CYP1A2CYP2D6NFKB1
SCHEMBL4877895 0.87 HTR6 (0.55) HTR6CYP1A2TSHRALDH1A1MEN1
SCHEMBL6549576 0.84 HTR6 (0.90) HTR6
SCHEMBL1380651 0.81 HTR6 (0.60) HTR6NCF1HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL5550931 0.80 HTR6 (0.59) HTR6NCF1HTR1AHTR1DHTR1B
SCHEMBL4573952 0.80 HTR6 (0.70) HTR6NCF1CYP1A2CYP2D6NFKB1
SCHEMBL19284651 0.80 HTR6 (0.70) HTR6NCF1CYP1A2CYP2D6NFKB1
SCHEMBL30735626 0.80 HTR6 (0.70) HTR6NCF1CYP1A2CYP2D6NFKB1

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
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
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 HTR6 1659/4885NCF1 2967/4885CYP1A2 221/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 HTR6 1213/4885NCF1 2806/4885CYP1A2 109/4885
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 HTR6 2369/4885NCF1 1239/4885CYP1A2 49/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 HTR6 1213/4885NCF1 2806/4885CYP1A2 109/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS HTR6 1659/4885NCF1 2967/4885CYP1A2 221/4885

“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.