Sugi Predict

Sugi Predict / Compounds / SCHEMBL3958890

SCHEMBL3958890

SCHEMBL3958890

O=S(=O)(Nc1cc(OC2CCNCC2)c2occc2c1)c1ccccc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.64
▸ SLC22A12 Q96S37 13/20 0.42
▸ PTPN2 P17706 2/20 0.40
▸ PTPN1 P18031 2/20 0.40
▸ PTPN5 P54829 2/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.39
▸ SLC22A8 Q8TCC7 1/20 0.39
▸ SLC22A11 Q9NSA0 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ GSPT1 P15170 1/20 0.39
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ AXL P30530 1/20 0.39

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 SCHEMBL1060940 0.86 HTR6 (0.49) HTR6SLC22A12PTPN2PTPN1PTPN5
Hydrochloric Acid SCHEMBL1060941 0.86 HTR6 (0.49) HTR6SLC22A12PTPN2PTPN1PTPN5
Hydrochloric Acid SCHEMBL1057360 0.86 HTR6 (0.49) HTR6SLC22A12PTPN2PTPN1PTPN5
Hydrochloric Acid SCHEMBL1057359 0.86 HTR6 (0.49) HTR6SLC22A12PTPN2PTPN1PTPN5
Hydrochloric Acid SCHEMBL1057363 0.86 HTR6 (0.49) HTR6SLC22A12PTPN2PTPN1PTPN5
SCHEMBL3963801 0.79 HTR6 (0.82) HTR6SYK
SCHEMBL3958865 0.78 HTR6 (1.00) HTR6
SCHEMBL13361991 0.78 HTR6 (0.79) HTR6SYK
SCHEMBL3960413 0.76 HTR6 (0.71) HTR6
SCHEMBL3956245 0.76 HTR6 (0.78) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582767-B2 Substituted sulphonamide compound and uses thereof BIOVITRUM AB (PUBL.) (SE) 2009-09-01 — — US disclosed
EP-1896460-B1 BENZOFURANYL DERIVATIVES AS 5-HT6-RECEPTOR INHIBITORS BIOVITRUM AB PUBL (SE) 2009-07-22 — — EP disclosed
EP-1896460-A1 BENZOFURANYL DERIVATIVES AS 5-HT6-RECEPTOR INHIBITORS Biovitrum AB (publ) (SE) 2008-03-12 — — EP disclosed
US-20060293361-A1 N-[7-(4-piperidinyl)oxy-1-benzofuran-5-yl]-5-hydroxymethyl-2-methoxybenzenesulfonamide; the prophylaxis and treatment of medical conditions relating to obesity, type II diabetes, CNS disorders, to achieve reduction of body weight and/or body weight gain PROXIMAGEN NEUROSCIENCE PLC (GB) 2006-12-28 — — US disclosed
WO-2006134150-A1 BENZOFURANYL DERIVATIVES AS 5-HT6-RECEPTOR INHIBITORS BIOVITRUM AB (PUBL) (SE) 2006-12-21 — — 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 (1 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-20060293361-A1 N-[7-(4-piperidinyl)oxy-1-benzofuran-5-yl]-5-hydroxymethyl-2-methoxybenzenesulfonamide; the prophylaxis and treatment of medical conditions relating to obesity, type II diabetes, CNS disorders, to achieve reduction of body weight and/or body weight gain GPR119, CNR2, SULT1E1 HTR6 598/4885SLC22A12 1033/4885PTPN2 2401/4885

“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.