SCHEMBL2653483

SCHEMBL2653483

CC(C(N)=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.53
AKR1C3 P42330 2/20 0.50
AKR1C2 P52895 2/20 0.50
ENPP2 Q13822 2/20 0.47
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
GRM4 Q14833 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5674929 1.00 EPHX1 (0.53) EPHX1AKR1C3AKR1C2ENPP2CA12
SCHEMBL38657609 0.85 CA2 (0.55) EPHX1CA12CA1CA2CA4
SCHEMBL27536782 0.84 AKR1C3 (0.53) AKR1C3AKR1C2ENPP2LMNATSHR
SCHEMBL13723847 0.82 AKR1C3 (0.70) AKR1C3AKR1C2ENPP2GRM4LMNA
SCHEMBL28202578 0.82 AKR1C3 (0.56) AKR1C3AKR1C2ENPP2LMNATSHR
SCHEMBL22643594 0.81 AKR1C3 (0.44) EPHX1AKR1C3AKR1C2ENPP2GRM4
SCHEMBL27705668 0.81 HTR6 (0.50) EPHX1LMNA
SCHEMBL16879899 0.81 EPHX1 (0.54) EPHX1AKR1C3AKR1C2CA12CA1
SCHEMBL30838569 0.80 AKR1C3 (0.46) AKR1C3AKR1C2ENPP2CA12CA1
SCHEMBL7289374 0.79 LMNA (0.47) EPHX1AKR1C3AKR1C2ENPP2GRM4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341774-B1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2006-02-01 EP claimed
EP-1572670-A1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP claimed
WO-2004052869-A1 5-SUBSTITUTED-PYRAZINE OR PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 WO claimed
CN-112851557-B Sulfo-substituted biaryl compound or salt thereof, and preparation method and application thereof 上海辉启生物医药科技有限公司 2022-06-10 CN disclosed
CN-1226294-C Fused heteroaromatic glucokinase activators HOFFMANN LA ROCHE (CH) 2005-11-09 CN disclosed
EP-1572670-A1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP disclosed
WO-2004052869-A1 5-SUBSTITUTED-PYRAZINE OR PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 WO disclosed
CN-1476438-A Fused heteroaromatic glucokinase activators - 2004-02-18 CN disclosed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 CN disclosed