SCHEMBL2089792

SCHEMBL2089792

N#CCc1ccc(-c2ccc(S(N)(=O)=O)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.52
CA1 P00915 17/20 0.52
CA12 O43570 16/20 0.52
CA9 Q16790 16/20 0.52
PKM P14618 1/20 0.39
CHEK1 O14757 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL7059253 0.85 PKM (0.39) CA2CA1CA12CA9PKM
SCHEMBL2087081 0.78 PKM (0.40) PKM
SCHEMBL13742979 0.75 CA2 (0.55) CA2CA1CA12CA9CHEK1
SCHEMBL23254983 0.74 APP (0.57) CA2CA1CA12CA9CA4
SCHEMBL18118201 0.74 CA1 (0.56) CA2CA1CA12CA9CA4
SCHEMBL13743183 0.74 CA2 (0.56) CA2CA1CA12CA9CA4
SCHEMBL17785542 0.73 CA2 (0.64) CA2CA1CA12CA9CA4
SCHEMBL2880094 0.73 HTT (0.39) PKM
SCHEMBL4802533 0.72 CA2 (0.53) CA2CA1CA12CA9CA4
SCHEMBL5635594 0.71 CA2 (0.59) CA2CA1CA12CA9CA4

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 5 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 disclosed
CN-102026978-A Pyridine compounds HOFFMANN LA ROCHE 2011-04-20 CN 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 CA2 1000/4885CA1 2939/4885CA12 3870/4885

“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.