SCHEMBL2007331

SCHEMBL2007331

COC(=O)c1ccc(S(=O)(=O)NC(=O)NCCCCCCNC(=O)NS(=O)(=O)c2ccc(C(=O)OC)o2)o1

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.86
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 1/20 0.67
ALDH1A1 P00352 3/20 0.54
TSHR P16473 2/20 0.47
FBP1 P09467 10/20 0.46
LMNA P02545 1/20 0.42
ALB P02768 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2007731 0.85 HTT (0.63) HTTCYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL2009726 0.81 HTT (0.57) HTTCYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL15625508 0.79 ALDH1A1 (0.64) HTTCYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL2010325 0.78 HTT (0.54) HTTCYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL2007978 0.77 HTT (0.53) HTTCYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL3410883 0.77 HTT (0.54) HTTCYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL15880660 0.75 ALDH1A1 (0.68) HTTCYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL17286584 0.75 HTT (0.59) HTTCYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL15851421 0.75 ALDH1A1 (0.72) HTTCYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL2420165 0.74 ALDH1A1 (0.70) HTTCYP2C9CYP2C19ALDH1A1TSHR

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
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 HTT 2895/4885CYP2C9 49/4885CYP2C19 139/4885

“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.