SCHEMBL2088044

SCHEMBL2088044

CNC(=O)Nc1cc(OC)cc(NC(=O)NS(=O)(=O)c2cccc(C)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 17/20 0.53
CREBBP Q92793 1/20 0.53
NLRP3 Q96P20 1/20 0.52
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL2087732 0.80 FBP1 (0.56) FBP1CREBBPKDM4E
SCHEMBL2088017 0.79 KDM4E (0.58) FBP1NLRP3KDM4E
SCHEMBL2087977 0.78 FBP1 (0.61) FBP1CREBBPKDM4E
SCHEMBL2089571 0.75 FBP1 (0.55) FBP1NLRP3KDM4E
SCHEMBL958561 0.74 FBP1 (0.60) FBP1NLRP3
SCHEMBL2087276 0.74 FBP1 (0.55) FBP1CREBBPKDM4E
SCHEMBL27535999 0.73 NLRP3 (0.49) FBP1CREBBPNLRP3KDM4E
SCHEMBL19657672 0.73 FBP1 (0.49) FBP1CREBBPKDM4E
SCHEMBL2087609 0.73 FBP1 (0.61) FBP1CREBBPKDM4E
SCHEMBL2088650 0.73 FBP1 (0.61) FBP1CREBBP

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 1/4885CREBBP 642/4885NLRP3 2398/4885

“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.