SCHEMBL2089286

SCHEMBL2089286

COC(=O)c1cc(C(F)(F)F)cc(NC(=O)NS(=O)(=O)c2csc(C)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 10/20 0.47
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
NOTUM Q6P988 1/20 0.34
PKM P14618 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL2090010 0.86 FBP1 (0.57) FBP1GAAKDM4ELMNAPKM
SCHEMBL2089404 0.76 FBP1 (0.78) FBP1CREBBP
SCHEMBL2089288 0.76 FBP1 (0.41) FBP1GAAKDM4ELMNAPKM
SCHEMBL2090628 0.75 FBP1 (0.82) FBP1CREBBP
SCHEMBL2087732 0.75 FBP1 (0.56) FBP1GAAKDM4ELMNAPKM
SCHEMBL2087944 0.74 FBP1 (0.81) FBP1CREBBP
SCHEMBL2088888 0.73 FBP1 (0.47) FBP1GAAKDM4ELMNACREBBP
SCHEMBL23326908 0.73 ADORA3 (0.49) KDM4ELMNANOTUM
SCHEMBL29910346 0.73 ADORA3 (0.49) KDM4ELMNANOTUM
SCHEMBL2090632 0.72 FBP1 (0.53) FBP1GAAKDM4ELMNAPKM

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 1/4885GAA 215/4885KDM4E 821/4885

“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.