SCHEMBL2089331

SCHEMBL2089331

Cc1cccc(S(=O)(=O)NC(=O)Nc2cc(Br)ccn2)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 17/20 0.60
NLRP3 Q96P20 1/20 0.54
PKM P14618 1/20 0.54
ALKBH2 Q6NS38 1/20 0.51
ALKBH3 Q96Q83 1/20 0.51
FTO Q9C0B1 1/20 0.51

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
SCHEMBL2087818 0.86 FBP1 (0.60) FBP1PKM
SCHEMBL2089571 0.81 FBP1 (0.55) FBP1NLRP3
SCHEMBL2087951 0.79 ALDH1A1 (0.54) PKM
SCHEMBL2087541 0.76 FBP1 (0.50) FBP1NLRP3
SCHEMBL2088017 0.76 KDM4E (0.58) FBP1NLRP3
SCHEMBL956677 0.75 FBP1 (1.00) FBP1
SCHEMBL29083770 0.75 IDE (0.58)
SCHEMBL959839 0.73 FBP1 (0.72) FBP1NLRP3
SCHEMBL2088044 0.72 FBP1 (0.53) FBP1NLRP3
SCHEMBL2089438 0.72 FBP1 (0.62) FBP1NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163778-B2 Pyridines as FBPase inhibitors for treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US claimed
US-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2009-06-04 US claimed
US-8163778-B2 Pyridines as FBPase inhibitors for treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2227452-A2 PYRIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
WO-2009068468-A2 PYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO disclosed
US-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2009-06-04 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-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES FBP1, PDXK, G6PC1 FBP1 1/4885NLRP3 2398/4885PKM 300/4885

“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.