SCHEMBL2089680

SCHEMBL2089680

CNC(=O)Nc1cc(S(C)(=O)=O)cc(N)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
TNIK Q9UKE5 1/20 0.38
FBP1 P09467 6/20 0.36
PIP4K2A P48426 1/20 0.35
PIP4K2B P78356 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAP4K1 Q92918 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GCK P35557 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
SCHEMBL2088000 0.76 FBP1 (0.48) KMT2AFBP1MAPTALDH1A1MAP4K1
SCHEMBL2087730 0.75 FBP1 (0.38) FBP1MAPTALDH1A1MAP4K1SMN1; SMN2
SCHEMBL2087196 0.75 PLAU (0.37) FBP1MAPTALDH1A1MAP4K1SMN1; SMN2
SCHEMBL2088102 0.74 G6PD (0.41) SMN1; SMN2
SCHEMBL2087527 0.74 SMN1; SMN2 (0.40) ALDH1A1MAP4K1SMN1; SMN2
SCHEMBL2088872 0.74 FBP1 (0.50) KMT2AFBP1MAPTALDH1A1MAP4K1
SCHEMBL2089387 0.74 FBP1 (0.52) KMT2AFBP1MAPTSMN1; SMN2GCK
SCHEMBL2089364 0.72 MAP4K1 (0.36) KMT2AFBP1MAPTALDH1A1MAP4K1
SCHEMBL2087500 0.71 GCK (0.43) FBP1MAPTALDH1A1SMN1; SMN2GCK
SCHEMBL2088829 0.71 F10 (0.35) FBP1MAPTALDH1A1MAP4K1SMN1; SMN2

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 KMT2A 2517/4885TNIK 2556/4885FBP1 1/4885

“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.