SCHEMBL2005040

SCHEMBL2005040

NS(=O)(=O)C1=COC(Cc2ccccc2)O1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.39
CA1 P00915 15/20 0.39
CA9 Q16790 14/20 0.39
CA5A P35218 1/20 0.39
CA12 O43570 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA7 P43166 2/20 0.36
CA4 P22748 10/20 0.36

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
SCHEMBL2781799 0.85 TSHR (0.35) CA2CA1CA12CA14CA7
SCHEMBL1601701 0.84 ALDH1A1 (0.34) CA2CA1CA12CA14CA7
SCHEMBL5004808 0.74 PLA2G10 (0.39)
SCHEMBL746094 0.74 CTRB1 (0.35)
SCHEMBL5754991 0.74 TAAR1 (0.39)
SCHEMBL230546 0.73 CTRB1 (0.36)
SCHEMBL133894 0.72 MEN1 (0.36)
SCHEMBL6076922 0.71 TSHR (0.40)
SCHEMBL388934 0.71 ALDH1A1 (0.36)
SCHEMBL3369296 0.71 IDO1 (0.37)

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-7964633-B2 such as N,N'-[hexane-1,6-diylbis(iminocarbonyl)]bis(3-chlorobenzenesulfonamide), used as Fructose-1,6-bisphosphatase inhibitors; metabolic disorders such as diabetes HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
EP-2081889-B1 SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-22 EP disclosed
EP-2081889-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-29 EP disclosed
US-20090118323-A1 ANTITUMOR BENZOYLSULFONAMIDES MADER MARY MARGARET 2009-05-07 US disclosed
US-20080085928-A1 Sulfonamide derivatives HOFFMANN-LA ROCHE INC. 2008-04-10 US disclosed
WO-2008037628-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 WO disclosed
EP-1565438-B1 ANTITUMOR BENZOYLSULFONAMIDES LILLY CO ELI (US) 2007-10-17 EP disclosed
US-7282595-B2 Antitumor benzoylsulfonamides ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
US-20060106053-A1 Antitumor benzoylsulfonamides ELI LILLY AND COMPANY 2006-05-18 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 (3 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-20090118323-A1 ANTITUMOR BENZOYLSULFONAMIDES HCCS, GLS2, GLS CA2 1594/4885CA1 428/4885CA9 59/4885
US-20060106053-A1 Antitumor benzoylsulfonamides HCCS, GLS2, GLS CA2 1594/4885CA1 428/4885CA9 59/4885
US-20080085928-A1 Sulfonamide derivatives SULT2A1, SULT1A1, SULT1E1 CA2 1137/4885CA1 2532/4885CA9 1183/4885

“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.