SCHEMBL8081775

SCHEMBL8081775

CC[C@@]1(C)OC(=O)C(c2ccc(F)c(F)c2)=C1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.71
PTGS1 P23219 9/20 0.58

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
SCHEMBL8075229 1.00 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL4211457 1.00 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL7112854 0.91 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL8067207 0.91 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8080213 0.90 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8076981 0.87 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL8076878 0.87 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL8076957 0.87 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL8067255 0.87 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL7624385 0.85 PTGS2 (0.82) PTGS2PTGS1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6133292-A NON-STEROIDAL ANTIINFLAMMATORY DRUG, INHIBIT HORMONE-INDUCED UTERINE CONTRACTIONS, ANTICARCINOGENIC AGENTS, ANTIPYRETICS; ANALGESICS; SIDE EFFECT REDUCTION; PREVENT THE SYNTHESIS OF CONTRACTILE PROSTANOIDS, DYSMENORRHEA, ASTHMA MERCK FROSST CANADA & CO. (CA) 2000-10-17 US claimed
EP-1028951-A1 DIARYL-5-ALKYL-5-METHYL-2(5H)-FURANONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 2000-08-23 EP claimed
WO-1999023087-A1 DIARYL-5-ALKYL-5-METHYL-2(5H)-FURANONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA & CO. (CA) 1999-05-14 WO claimed
US-20090197833-A1 Silicon Containing Compounds Having Selective Cox-2 Inhibitory Activity and Methods of Making and Using the Same ENGLEBIENNE & ASSOCIATES (BE) 2009-08-06 US disclosed
US-20090197833-A1 Silicon Containing Compounds Having Selective Cox-2 Inhibitory Activity and Methods of Making and Using the Same ENGLEBIENNE & ASSOCIATES (BE) 2009-08-06 US disclosed
US-20090192211-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION CHEN YING-NAN PAN 2009-07-30 US disclosed
US-20090192211-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION CHEN YING-NAN PAN 2009-07-30 US disclosed
US-7521435-B2 Silicon containing compounds having selective COX-2 inhibitory activity and methods of making and using the same PHARMA DIAGNOSTICS, N.V. (BE) 2009-04-21 US disclosed
US-7521435-B2 Silicon containing compounds having selective COX-2 inhibitory activity and methods of making and using the same PHARMA DIAGNOSTICS, N.V. (BE) 2009-04-21 US disclosed
US-20080227845-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION CHEN YING-NAN PAN 2008-09-18 US disclosed
US-20080227845-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION CHEN YING-NAN PAN 2008-09-18 US disclosed
EP-1443942-B1 PHARMACEUTICAL COMPOSITION FOR USE FOR THE TREATMENT OF MALIGNANCIES COMPRISING IN COMBINATION A BISPHOSPHONATE, A COX-2 INHIBITOR AND A TAXOL NOVARTIS AG (CH) 2008-01-02 EP disclosed
US-20030035795-A1 Methods for treating or reducing the risk of pain and inflammatory disorders by administering inhibitors of activated thrombin activatable fibrinolysis inhibitor GARDELL STEPHEN J (US) 2003-02-20 US disclosed
US-20030035795-A1 Methods for treating or reducing the risk of pain and inflammatory disorders by administering inhibitors of activated thrombin activatable fibrinolysis inhibitor GARDELL STEPHEN J (US) 2003-02-20 US disclosed
US-6133292-A NON-STEROIDAL ANTIINFLAMMATORY DRUG, INHIBIT HORMONE-INDUCED UTERINE CONTRACTIONS, ANTICARCINOGENIC AGENTS, ANTIPYRETICS; ANALGESICS; SIDE EFFECT REDUCTION; PREVENT THE SYNTHESIS OF CONTRACTILE PROSTANOIDS, DYSMENORRHEA, ASTHMA MERCK FROSST CANADA & CO. (CA) 2000-10-17 US disclosed
US-6133292-A NON-STEROIDAL ANTIINFLAMMATORY DRUG, INHIBIT HORMONE-INDUCED UTERINE CONTRACTIONS, ANTICARCINOGENIC AGENTS, ANTIPYRETICS; ANALGESICS; SIDE EFFECT REDUCTION; PREVENT THE SYNTHESIS OF CONTRACTILE PROSTANOIDS, DYSMENORRHEA, ASTHMA MERCK FROSST CANADA & CO. (CA) 2000-10-17 US disclosed
EP-1028951-A1 DIARYL-5-ALKYL-5-METHYL-2(5H)-FURANONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 2000-08-23 EP disclosed
EP-1028951-A1 DIARYL-5-ALKYL-5-METHYL-2(5H)-FURANONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 2000-08-23 EP disclosed
WO-1999023087-A1 DIARYL-5-ALKYL-5-METHYL-2(5H)-FURANONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA & CO. (CA) 1999-05-14 WO disclosed
WO-1999023087-A1 DIARYL-5-ALKYL-5-METHYL-2(5H)-FURANONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA & CO. (CA) 1999-05-14 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 (4 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-20090192211-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION HDAC2, HDAC9, HDAC1 PTGS2 6/4885PTGS1 13/4885
US-20080227845-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION HDAC2, HDAC9, HDAC1 PTGS2 6/4885PTGS1 13/4885
US-20030035795-A1 Methods for treating or reducing the risk of pain and inflammatory disorders by administering inhibitors of activated thrombin activatable fibrinolysis inhibitor BPGM, PLG, FGB PTGS2 372/4885PTGS1 206/4885
US-20090197833-A1 Silicon Containing Compounds Having Selective Cox-2 Inhibitory Activity and Methods of Making and Using the Same PTGS2, PTGES2, PTGS1 PTGS2 1/4885PTGS1 3/4885

“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.