SCHEMBL2087566

SCHEMBL2087566

Cc1cc(S(=O)(=O)NC(=O)Nc2cc(Br)cc(NC(N)=O)n2)cs1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 11/20 0.44
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
NLRP3 Q96P20 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CAMK2D Q13557 1/20 0.34
CREBBP Q92793 1/20 0.34

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
SCHEMBL2090632 0.91 FBP1 (0.53) FBP1KDM4ELMNANLRP3CA1
SCHEMBL2088888 0.87 FBP1 (0.47) FBP1KDM4ELMNACA1CA2
SCHEMBL2089884 0.77 FBP1 (0.54) FBP1KDM4ELMNACA1CA2
SCHEMBL2087732 0.77 FBP1 (0.56) FBP1KDM4ELMNAGAAPKM
SCHEMBL2088258 0.76 FBP1 (0.55) FBP1KDM4ELMNACA1CA2
SCHEMBL2090010 0.74 FBP1 (0.57) FBP1KDM4ELMNAGAAPKM
SCHEMBL2089288 0.72 FBP1 (0.41) FBP1KDM4ELMNACA1CA2
SCHEMBL2174443 0.71 FBP1 (0.47) FBP1CA1CA2
SCHEMBL2089421 0.70 FBP1 (0.86) FBP1CREBBP
SCHEMBL2089286 0.70 FBP1 (0.47) FBP1KDM4ELMNAGAAPKM

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 8 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
EP-2227452-A2 PYRIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2010-09-15 EP claimed
WO-2009068468-A2 PYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO 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 1/4885KDM4E 821/4885LMNA 4246/4885

“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.