SCHEMBL5715331

SCHEMBL5715331

CCCCOc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1OCCCC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.50
PTGS1 P23219 5/20 0.50
DRD1 P21728 1/20 0.44
TSHR P16473 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
S1PR3 Q99500 1/20 0.43
PTPN11 Q06124 1/20 0.43
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ERN1 O75460 1/20 0.41

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 0.92 DRD1 (0.46) PTGS2PTGS1DRD1CA12CA1
SCHEMBL5715411 0.89 PTGS2 (0.45) PTGS2PTGS1TSHRCA12CA1
SCHEMBL5715461 0.86 PTGS2 (0.49) PTGS2DRD1PTGDR2HTTERN1
SCHEMBL13957128 0.77 PTPN11 (0.55) S1PR3PTPN11
SCHEMBL2856448 0.77 PTPN11 (0.55) S1PR3PTPN11
SCHEMBL1776071 0.77 PTPN11 (0.55) S1PR3PTPN11
SCHEMBL6378122 0.77 CA12 (0.70) PTGS2PTGS1TSHRCA12CA1
SCHEMBL28319408 0.77 PTPN11 (0.55) S1PR3PTPN11
SCHEMBL5715406 0.77 PTGER1 (0.52) PTGS2DRD1PTGDR2SMN1; SMN2
SCHEMBL16362199 0.76 PTPN11 (0.71) TSHRPTPN11

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 1/4885DRD1 2077/4885

“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.