SCHEMBL5715461

SCHEMBL5715461

CCOc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
DRD1 P21728 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
ERN1 O75460 1/20 0.43
HTT P42858 1/20 0.43
KIF11 P52732 1/20 0.43

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
SCHEMBL5715341 0.87 DRD1 (0.46) PTGS2DRD1MAPTHSD17B10PTGDR2
SCHEMBL5715331 0.86 PTGS2 (0.50) PTGS2DRD1PTGDR2ERN1HTT
SCHEMBL1778039 0.82 HSD17B10 (0.65) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL5715406 0.80 PTGER1 (0.52) PTGS2DRD1MEN1KMT2APTGDR2
SCHEMBL14569174 0.79 CA12 (0.61) PTGS2MEN1ALDH1A1MAPTMAPK1
SCHEMBL15210310 0.78 SMN1; SMN2 (0.59) PTGS2PDE4APDE4BPDE4CPDE4D
SCHEMBL5715568 0.77 PTGS2 (0.69) PTGS2PDE4BPOLBHPGDMAPK1
SCHEMBL27814160 0.77 KDM4E (0.60) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL17127349 0.77 NQO1 (0.56) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL5715411 0.76 PTGS2 (0.45) PTGS2POLBPTGDR2

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-1434762-B1 4'-METHANESULFONYL-BIPHENYL DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CHEIL JEDANG CORP (KR) 2006-12-20 EP claimed
US-6583321-B1 Nonsteroid, antiinflammatory; side effect reduction CHEIL JEDANG CORPORATION (KR) 2003-06-24 US claimed
US-20030105095-A1 4'-Methanesulfonyl-biphenyl derivatives as a highly selective cyclooxygenase-2 inhibitor CHEIL JEDANG CORPORATION (KR) 2003-06-05 US claimed
EP-1434762-B1 4'-METHANESULFONYL-BIPHENYL DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CHEIL JEDANG CORP (KR) 2006-12-20 EP disclosed
EP-1434762-A4 4'-METHANESULFONYL-BIPHENYL DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CHEIL JEDANG CORP (KR) 2006-01-04 EP disclosed
EP-1434762-A1 4'-METHANESULFONYL-BIPHENYL DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR Cheil Jedang Corporation (KR) 2004-07-07 EP disclosed
US-6583321-B1 Nonsteroid, antiinflammatory; side effect reduction CHEIL JEDANG CORPORATION (KR) 2003-06-24 US disclosed
US-20030105095-A1 4'-Methanesulfonyl-biphenyl derivatives as a highly selective cyclooxygenase-2 inhibitor CHEIL JEDANG CORPORATION (KR) 2003-06-05 US disclosed
WO-2003031398-A1 4'-METHANESULFONYL-BIPHENYL DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CHEIL JEDANG CORPORATION (KR) 2003-04-17 WO 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-20030105095-A1 4'-Methanesulfonyl-biphenyl derivatives as a highly selective cyclooxygenase-2 inhibitor PTGS1, PTGS2, PTGES2 PTGS2 2/4885PDE4A 2363/4885PDE4B 2102/4885

“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.