SCHEMBL5715411

SCHEMBL5715411

CCCCOc1cc(-c2ccc(S(C)(=O)=O)cc2)ccc1OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.45
PTGS1 P23219 5/20 0.45
POLB P06746 1/20 0.42
TGFBR1 P36897 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
GCK P35557 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TSHR P16473 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
S1PR3 Q99500 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
SCHEMBL5715331 0.89 PTGS2 (0.50) PTGS2PTGS1PTGDR2CA12CA1
SCHEMBL5715232 0.85 PTGS2 (0.47) PTGS2PTGS1POLBTGFBR1
SCHEMBL5715341 0.82 DRD1 (0.46) PTGS2PTGS1PTGDR2CA12CA1
SCHEMBL5715461 0.76 PTGS2 (0.49) PTGS2POLBPTGDR2
SCHEMBL29827571 0.76 PTPN11 (0.46) POLBPTPN11
SCHEMBL5715709 0.75 PTGS2 (0.44) PTGS2PTGS1POLB
SCHEMBL19564851 0.72 POLB (0.40) POLBCA12CA1CA2CA7
SCHEMBL19564852 0.72 ERN1 (0.42) POLBCA12CA1CA2CA7
SCHEMBL19564844 0.71 POLB (0.39) PTGS2PTGS1POLB
SCHEMBL6378122 0.70 CA12 (0.70) PTGS2PTGS1MMP1MMP2MMP13

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 12 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
EP-1434762-A4 4'-METHANESULFONYL-BIPHENYL DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CHEIL JEDANG CORP (KR) 2006-01-04 EP claimed
EP-1434762-A1 4'-METHANESULFONYL-BIPHENYL DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR Cheil Jedang Corporation (KR) 2004-07-07 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
WO-2003031398-A1 4'-METHANESULFONYL-BIPHENYL DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CHEIL JEDANG CORPORATION (KR) 2003-04-17 WO 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 2/4885PTGS1 1/4885POLB 3612/4885

“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.