SCHEMBL851339

SCHEMBL851339

CC1(C)C=C(c2ccc(F)cc2)C(c2ccc(S(C)(=O)=O)cc2)=C1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.71
PTGS1 P23219 6/20 0.71

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
SCHEMBL8974485 0.86 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL214628 0.85 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8974084 0.84 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8974475 0.84 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8974303 0.84 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL213199 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5698515 0.83 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8974669 0.83 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL9117072 0.82 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8974299 0.82 PTGS2 (0.66) 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 454 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2023914-A2 METHODS OF TREATING A NEUROLOGICAL DISORDER WITH CREATINE MONOHYDRATE Avicena Group, Inc. (US) 2009-02-18 EP claimed
EP-2023718-A2 CREATINE-LIGAND COMPOUNDS AND METHODS OF USE THEREOF Avicena Group, Inc. (US) 2009-02-18 EP claimed
EP-1479385-B1 Use of cyclooxygenase-2 inhibitors in the treatment and prevention of neoplasia SEARLE LLC (US) 2008-07-02 EP claimed
WO-2007133731-A2 CREATINE-LIGAND COMPOUNDS AND METHODS OF USE THEREOF AVICENA GROUP, INC. (US) 2007-11-22 WO claimed
WO-2007133673-A2 METHODS OF TREATING A NEUROLOGICAL DISORDER WITH CREATINE MONOHYDRATE AVICENA GROUP, INC. (US) 2007-11-22 WO claimed
US-20060093687-A1 Combinations of a vanilloid antagonist and an nsaid for the treatment of pain BOUNTRA CHARANJIT 2006-05-04 US claimed
EP-0843549-B1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A 4 HYDROLASE INHIBITOR SEARLE & CO (US) 2006-04-12 EP claimed
EP-0833622-B8 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR SEARLE & CO (US) 2005-10-12 EP claimed
EP-1572237-A1 COMBINATIONS OF VANILLOID ANTAGONIST AND NSAID FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2005-09-14 EP claimed
EP-0833622-B1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR SEARLE & CO (US) 2005-08-10 EP claimed
WO-1999059635-A1 USE OF A COX-2 INHIBITOR AND A NK-1 RECEPTOR ANTAGONIST FOR TREATING INFLAMMATION MERCK SHARP & DOHME LIMITED (GB) 1999-11-25 WO claimed
WO-1998050075-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 1998-11-12 WO claimed
EP-0843549-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A 4? HYDROLASE INHIBITOR G.D. SEARLE & CO. (US) 1998-05-27 EP claimed
EP-0833622-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR G.D. SEARLE & CO. (US) 1998-04-08 EP claimed
EP-0833664-A1 COMBINATION OF A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE B 4? RECEPTOR ANTAGONIST FOR THE TREATMENT OF INFLAMMATIONS G.D. SEARLE & CO. (US) 1998-04-08 EP claimed
WO-1996041645-A1 COMBINATION OF A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE B4 RECEPTOR ANTAGONIST FOR THE TREATMENT OF INFLAMMATIONS G.D. SEARLE & CO. (US) 1996-12-27 WO claimed
WO-1996041625-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A4 HYDROLASE INHIBITOR G.D. SEARLE & CO. (US) 1996-12-27 WO claimed
WO-1996041626-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR G.D. SEARLE & CO. (US) 1996-12-27 WO claimed
WO-1995030656-A1 SUBSTITUTED CYCLOPENTADIENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-11-16 WO claimed
US-5418254-A Side effect reduction G. D. SEARLE & CO. (US) 1995-05-23 US claimed

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-20060093687-A1 Combinations of a vanilloid antagonist and an nsaid for the treatment of pain TRPV1, TRPV2, TRPV3 PTGS2 129/4885PTGS1 59/4885

“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.