SCHEMBL958486

SCHEMBL958486

Cc1c(CC(C)C)sc(S(N)(=O)=O)c1C(=O)Nc1ncc(Br)s1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 13/20 0.53
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK10 P53779 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CDK5 Q00535 1/20 0.37

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
SCHEMBL4570117 0.85 FBP1 (0.56) FBP1SMN1; SMN2NPC1LMNAPKM
SCHEMBL959968 0.84 FBP1 (0.56) FBP1SMN1; SMN2NPC1LMNAPKM
SCHEMBL4570017 0.82 FBP1 (0.57) FBP1SMN1; SMN2NPC1LMNAPKM
SCHEMBL4566925 0.81 FBP1 (0.51) FBP1SMN1; SMN2NPC1LMNAPKM
SCHEMBL4570506 0.78 FBP1 (0.56) FBP1SMN1; SMN2NPC1LMNAPKM
SCHEMBL962082 0.77 FBP1 (0.52) FBP1SMN1; SMN2NPC1LMNAPKM
SCHEMBL4570288 0.73 FBP1 (0.46) FBP1SMN1; SMN2NPC1LMNAPKM
SCHEMBL959480 0.73 FBP1 (0.56) FBP1SMN1; SMN2NPC1LMNAPKM
SCHEMBL4569970 0.72 FBP1 (0.57) FBP1SMN1; SMN2NPC1LMNAPKM
SCHEMBL4570269 0.71 FBP1 (0.60) FBP1SMN1; SMN2NPC1LMNAPKM

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 4 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 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 1/4885SMN1; SMN2 3284/4885NPC1 1201/4885

“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.