SCHEMBL7209645

SCHEMBL7209645

Cc1ncc(Cl)cc1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.71
PTGS1 P23219 8/20 0.71
ABCC4 O15439 1/20 0.67
ABCB11 O95342 1/20 0.67
PDE4D Q08499 1/20 0.67
MAPK14 Q16539 1/20 0.67

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
SCHEMBL6069630 0.86 PTGS2 (0.66) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL678225 0.86 PTGS2 (0.84) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL15257349 0.84 PTGS2 (0.60) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL6069777 0.83 PTGS2 (0.63) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL6069533 0.83 MAP4K4 (0.64) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL6069906 0.83 PTGS2 (0.63) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL5210195 0.82 PTGS2 (0.82) PTGS2PTGS1ABCC4ABCB11PDE4D
Etoricoxib SCHEMBL30988052 0.80 PTGS2 (1.00) PTGS2PTGS1ABCC4ABCB11PDE4D
Etoricoxib SCHEMBL14163961 0.80 PTGS2 (1.00) PTGS2PTGS1ABCC4ABCB11PDE4D
Etoricoxib SCHEMBL4680 0.80 PTGS2 (1.00) PTGS2PTGS1ABCC4ABCB11PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140194-A2 USE OF CYCLOOXYGENASE-2 INHIBITOR, A MATRIX METALLAPROTEINASE INHIBITOR, AN ANTINEOPLASTIC AGENT AND OPTIONALLY RADIATION AS A COMBINED TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
WO-2000037107-A2 USE OF CYCLOOXYGENASE-2 INHIBITOR, A MATRIX METALLAPROTEINASE INHIBITOR, AN ANTINEOPLASTIC AGENT AND OPTIONALLY RADIATION AS A COMBINATION TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-06-29 WO claimed
US-9085532-B2 Process for preparing a ketosulfone derivative ZACH SYSTEM S.P.A. (IT) 2015-07-21 US disclosed
US-20150133671-A1 The Process For Preparing a Ketosulfone Derivative F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2015-05-14 US disclosed
EP-1303308-A2 ALDOSTERONE ANTAGONIST AND CYCLOOXYGENASE-2 INHIBITOR COMBINATION THERAPY TO PREVENT OR TREAT INFLAMMATION-RELATED CARDIOVASCULAR DISORDERS Pharmacia Corporation (US) 2003-04-23 EP disclosed
WO-2002009759-A2 ALDOSTERONE ANTAGONIST AND CYCLOOXYGENASE-2 INHIBITOR COMBINATION THERAPY TO PREVENT OR TREAT INFLAMMATION-RELATED CARDIOVASCULAR DISORDERS PHARMACIA CORPORATION (US) 2002-02-07 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-20150133671-A1 The Process For Preparing a Ketosulfone Derivative PDK3, PDK4, PDK2 PTGS2 2134/4885PTGS1 2064/4885ABCC4 2983/4885

“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.