SCHEMBL958725

SCHEMBL958725

CCOC(=O)c1nc(NC(=O)NS(=O)(=O)c2cccc(C)c2)sc1Br

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 18/20 0.59
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NLRP3 Q96P20 1/20 0.46

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
SCHEMBL959839 0.83 FBP1 (0.72) FBP1NLRP3
SCHEMBL956473 0.82 FBP1 (0.64) FBP1NLRP3
SCHEMBL958802 0.81 FBP1 (0.60) FBP1NLRP3
SCHEMBL958561 0.77 FBP1 (0.60) FBP1NLRP3
SCHEMBL958086 0.77 FBP1 (0.65) FBP1NLRP3
SCHEMBL956677 0.75 FBP1 (1.00) FBP1
SCHEMBL956862 0.74 ACP1 (0.61) FBP1MEN1KMT2ANLRP3
SCHEMBL6323804 0.74 CA12 (0.57) FBP1MEN1KMT2ANLRP3
SCHEMBL6887350 0.72 ALDH1A1 (0.61) MEN1KMT2A
SCHEMBL23742127 0.71 SMN1; SMN2 (0.54) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868030-B2 FBPase inhibitors for diabetes HOFFMANN-LA ROCHE INC. (US) 2011-01-11 US claimed
EP-2032548-A1 THIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP claimed
WO-2007137962-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 WO claimed
US-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents HOFFMANN-LA ROCHE INC. 2007-12-06 US claimed
US-7868030-B2 FBPase inhibitors for diabetes HOFFMANN-LA ROCHE INC. (US) 2011-01-11 US disclosed
EP-2032548-A1 THIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP disclosed
WO-2007137962-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 WO disclosed
US-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents HOFFMANN-LA ROCHE INC. 2007-12-06 US 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-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents FBP1, PFKFB1, PFKFB3 FBP1 1/4885MEN1 1481/4885KMT2A 3141/4885

“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.