SCHEMBL2013203

SCHEMBL2013203

CC1(C)Oc2ccc(S(N)(=O)=O)cc2O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.53
TSHR P16473 1/20 0.46
CA2 P00918 10/20 0.44
CA12 O43570 8/20 0.44
CA9 Q16790 8/20 0.44
CA1 P00915 7/20 0.44
CA5A P35218 6/20 0.44
CA6 P23280 5/20 0.44
CA7 P43166 5/20 0.44
CA5B Q9Y2D0 5/20 0.44
CA4 P22748 4/20 0.44
CA14 Q9ULX7 4/20 0.44
PKM P14618 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 1/20 0.41

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
SCHEMBL16655842 0.81 KIF11 (0.53) KIF11CA2CA12CA9CA1
SCHEMBL4558462 0.76 CNR1 (0.60) CA2CA12CA9CA1CA5A
SCHEMBL23555102 0.73 PKM (0.53) KIF11CA2CA12CA9CA1
SCHEMBL10689616 0.73 CA2 (0.45) CA2CA12CA9CA1CA5A
SCHEMBL30232618 0.73 CA2 (0.45) CA2CA12CA9CA1CA5A
SCHEMBL8003071 0.71 HIF1A (0.49) CA12CA9CA1CA7KDM4E
SCHEMBL3633865 0.71 CA2 (0.46) TSHRCA2CA12CA9CA1
SCHEMBL3776603 0.70 PKM (0.58) CA2CA12CA1CA7CA14
SCHEMBL1272838 0.70 MAPT (0.60) KIF11TSHRCA2CA12CA9
SCHEMBL5521017 0.69 KIF11 (1.00) KIF11CA2CA12CA9CA1

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 KIF11 4347/4885TSHR 772/4885CA2 1137/4885

“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.