SCHEMBL2012755

SCHEMBL2012755

O=C(NCCCCCCNC(=O)NS(=O)(=O)c1ccc(Cl)s1)NS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
FBP1 P09467 13/20 0.55
ALDH1A1 P00352 1/20 0.48
BMP1 P13497 1/20 0.46
MAPT P10636 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
SCHEMBL265540 0.84 FBP1 (0.52) KMT2AMEN1TSHRHTTSMN1; SMN2
SCHEMBL2008078 0.82 SMN1; SMN2 (0.55) KMT2AMEN1HTTSMN1; SMN2FBP1
SCHEMBL2007912 0.82 FBP1 (0.53) TSHRSMN1; SMN2FBP1ALDH1A1
SCHEMBL2008042 0.82 FBP1 (0.53) TSHRSMN1; SMN2FBP1ALDH1A1
SCHEMBL2007213 0.81 FBP1 (0.47) TSHRHTTFBP1ALDH1A1
SCHEMBL2015204 0.81 FBP1 (0.47) TSHRHTTSMN1; SMN2FBP1ALDH1A1
SCHEMBL2008704 0.79 FBP1 (0.48) TSHRFBP1ALDH1A1
SCHEMBL6802725 0.79 KMT2A (0.66) KMT2AMEN1TSHRHTTSMN1; SMN2
SCHEMBL2007670 0.78 LMNA (0.56) TSHRHTTFBP1ALDH1A1
SCHEMBL194745 0.76 MAPT (0.53) KMT2AMEN1TSHRHTTSMN1; SMN2

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 KMT2A 1101/4885MEN1 1646/4885TSHR 772/4885

“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.