SCHEMBL2003399

SCHEMBL2003399

O=C(NCCCCCCNC(=O)NS(=O)(=O)c1ccc2c(c1)CCC2)NS(=O)(=O)c1ccc2c(c1)CCC2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 14/20 0.58
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.49
ALB P02768 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.45

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
SCHEMBL19630971 0.80 KDM4E (0.54) ALDH1A1TDP1KDM4ELMNACA12
SCHEMBL19627388 0.78 KDM4E (0.51) ALDH1A1TDP1KDM4ELMNACA12
SCHEMBL2003327 0.77 FBP1 (0.63) FBP1ALDH1A1TDP1LMNAALB
SCHEMBL19630913 0.77 TDP1 (0.56) ALDH1A1TDP1KDM4ELMNATSHR
SCHEMBL19630993 0.77 KDM4E (0.50) ALDH1A1TDP1KDM4ELMNACA12
SCHEMBL2009089 0.76 FBP1 (0.68) FBP1ALDH1A1TDP1LMNAALB
SCHEMBL19631062 0.76 KDM4E (0.56) ALDH1A1TDP1KDM4ELMNACA12
Glidazamide SCHEMBL1816758 0.76 KDM4E (0.63) ALDH1A1TDP1KDM4ECA12CA1
SCHEMBL18029637 0.76 NLRP3 (0.74)
SCHEMBL11764973 0.75 CYP2C9 (0.52) FBP1ALDH1A1TDP1LMNAALB

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 10 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 claimed
EP-2081889-B1 SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-22 EP claimed
EP-2081889-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-29 EP claimed
US-20080085928-A1 Sulfonamide derivatives HOFFMANN-LA ROCHE INC. 2008-04-10 US claimed
WO-2008037628-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 WO 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
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 FBP1 2209/4885ALDH1A1 168/4885TDP1 3048/4885

“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.