SCHEMBL2005754

SCHEMBL2005754

COCc1cc(S(N)(=O)=O)co1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.53
CA2 P00918 14/20 0.39
CA1 P00915 9/20 0.36
CA9 Q16790 8/20 0.36
CA7 P43166 5/20 0.36
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
CA12 O43570 7/20 0.34
TSHR P16473 1/20 0.32
CA3 P07451 1/20 0.31
CA6 P23280 1/20 0.31

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
SCHEMBL3212791 0.69 DAO (1.00) DAO
SCHEMBL2005902 0.69 FBP1 (0.50) DAOTSHR
SCHEMBL2002242 0.69 FBP1 (0.50) DAOTSHR
SCHEMBL2007145 0.68 CA2 (0.39) CA2CA1CA9CA7CA5A
SCHEMBL2005620 0.67
SCHEMBL11118926 0.66 CA2 (0.68) CA2CA1CA9CA7CA5A
SCHEMBL27924838 0.66 CA2 (0.44) CA2CA1CA9CA7CA5A
SCHEMBL2094891 0.64 DAO (0.53) DAOCA2CA1CA9CA7
SCHEMBL2007165 0.64 CA2 (0.55) CA2CA1CA9CA7CA5A
SCHEMBL30048387 0.63 CA2 (0.50) CA2CA1CA9CA7CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101516837-A Sulfonamide derivatives HOFFMANN LA ROCHE (CH) 2009-08-26 CN claimed
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
CN-101516837-A Sulfonamide derivatives HOFFMANN LA ROCHE (CH) 2009-08-26 CN disclosed
EP-2081889-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-29 EP 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

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-20080085928-A1 Sulfonamide derivatives SULT2A1, SULT1A1, SULT1E1 DAO 4417/4885CA2 1137/4885CA1 2532/4885

“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.