SCHEMBL8563783

SCHEMBL8563783

CC(O)(C=O)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
ENPP2 Q13822 2/20 0.42
PTGS2 P35354 3/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
AKR1C3 P42330 1/20 0.38
PTPN1 P18031 1/20 0.38
CCR2 P41597 3/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL8566646 0.83 EPHX2 (0.43) EPHX2NR1H4ENPP2PTGS2CCR2
SCHEMBL8306535 0.83 EPHX2 (0.43) EPHX2NR1H4ENPP2PTGS2CCR2
SCHEMBL8133933 0.82 ENPP2 (0.48) EPHX2NR1H4ENPP2PTGS2MEN1
SCHEMBL8562357 0.81 EPHX2 (0.43) EPHX2NR1H4ENPP2PTGS2AKR1C3
SCHEMBL20269465 0.81 EPHX2 (0.43) EPHX2NR1H4ENPP2PTGS2AKR1C3
SCHEMBL6460135 0.80 HPGD (0.41) MEN1ALDH1A1KMT2ATHRATHRB
SCHEMBL5504958 0.78 ESR1 (0.57) MEN1KMT2A
SCHEMBL3634160 0.78 TSHR (0.50) EPHX2NR1H4CA1CA2
SCHEMBL2600037 0.77 ESR1 (0.50) EPHX2NR1H4ENPP2PTGS2PTPN1
SCHEMBL8081741 0.77 ENPP2 (0.44) EPHX2NR1H4ENPP2PTGS2MEN1

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
CN-111201212-B Synthesis method of feloxicib and intermediate thereof 四川青木制药有限公司 2022-07-26 CN disclosed
CN-107686471-B Synthesis method of feloxicib and intermediate thereof 成都苑东生物制药股份有限公司 2020-07-03 CN disclosed
CN-111201212-A Synthesis method of feloxicib and intermediate thereof 四川青木制药有限公司 2020-05-26 CN disclosed
EP-0863891-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-09-16 EP disclosed
WO-1997014691-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-04-24 WO disclosed