SCHEMBL2087288

SCHEMBL2087288

COCCOc1ccc(S(=O)(=O)NC(=O)Nc2cc(Br)cc(N)n2)cc1C

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 12/20 0.60
HTT P42858 2/20 0.42
CREBBP Q92793 1/20 0.38
WDR5 P61964 2/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.38
NLRP3 Q96P20 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
SCHEMBL2087616 0.85 FBP1 (0.48) FBP1HTTCREBBPWDR5KDM4E
SCHEMBL2089571 0.76 FBP1 (0.55) FBP1KDM4ENLRP3
SCHEMBL2088732 0.75 FBP1 (1.00) FBP1CREBBP
SCHEMBL2088877 0.72 FBP1 (0.58) FBP1CREBBP
SCHEMBL2088869 0.72 FBP1 (0.82) FBP1CREBBP
SCHEMBL2088092 0.72 FBP1 (0.56) FBP1
SCHEMBL2087209 0.71 MEP1B (0.46) FBP1KDM4EPKMNLRP3
SCHEMBL2087405 0.70 FBP1 (0.81) FBP1CREBBP
SCHEMBL2087589 0.70 FBP1 (0.60) FBP1KDM4EPKMNLRP3
SCHEMBL2087157 0.69 PKM (0.45) FBP1KDM4EPKMNLRP3

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 1/4885HTT 4768/4885CREBBP 642/4885

“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.