SCHEMBL237979

SCHEMBL237979

Cc1ccc(-c2ncc(Cl)cc2-c2cccc(S(C)(=O)=O)c2)cn1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.78
PTGS1 P23219 10/20 0.78
ABCC4 O15439 1/20 0.78
ABCB11 O95342 1/20 0.78
PDE4D Q08499 1/20 0.78
MAPK14 Q16539 1/20 0.78
EPHB4 P54760 1/20 0.42

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
Hydrochloric Acid SCHEMBL4892177 0.99 PTGS2 (0.76) PTGS2PTGS1ABCC4ABCB11PDE4D
Etoricoxib SCHEMBL4680 0.88 PTGS2 (1.00) PTGS2PTGS1ABCC4ABCB11PDE4D
Etoricoxib SCHEMBL29366203 0.88 PTGS2 (1.00) PTGS2PTGS1ABCC4ABCB11PDE4D
Etoricoxib SCHEMBL30988052 0.88 PTGS2 (1.00) PTGS2PTGS1ABCC4ABCB11PDE4D
Etoricoxib SCHEMBL29402456 0.88 PTGS2 (1.00) PTGS2PTGS1ABCC4ABCB11PDE4D
Etoricoxib SCHEMBL14163961 0.88 PTGS2 (1.00) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL5356064 0.88 PTGS2 (0.63) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL4891343 0.87 PTGS2 (0.80) PTGS2PTGS1ABCC4ABCB11PDE4D
Etoricoxib SCHEMBL321747 0.86 PTGS2 (0.97) PTGS2PTGS1ABCC4ABCB11PDE4D
Etoricoxib SCHEMBL322344 0.86 PTGS2 (0.97) 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 999 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649049-A2 PRODUCE TO PRODUCE ETORICOXIB Virdev Intermediates Pvt. Ltd. (IN) 2013-10-16 EP claimed
US-20130245272-A1 PROCESS FOR CYCLOOXYGENASE-2 SELECTIVE INHIBITOR VIRDEV INTERMEDIATES PVT. LTD. (IN) 2013-09-19 US claimed
WO-2012066570-A2 A PROCESS FOR CYCLOOXYGENASE-2 SELECTIVE INHIBITOR VIRDEV INTERMEDIATES PVT. LTD. (IN) 2012-05-24 WO claimed
US-7172769-B2 Cyclooxygenase-2 inhibitor compositions having rapid onset of therapeutic effect PHARMACIA CORPORATION (US) 2007-02-06 US claimed
EP-1239857-B1 DUAL-RELEASE COMPOSITIONS OF A CYCLOOXYGENASE-2- INHIBITOR PHARMACIA CORP (US) 2006-04-19 EP claimed
EP-1525883-A1 Ciclooxygenase-2 inhibitor compositions having rapid onset of therapeutic effect Pharmacia Corporation (US) 2005-04-27 EP claimed
US-20050004199-A1 Treatment of inflammation with a combination of a cyclooxygenase-2 inhibitor and an integrin alpha-v antagonist HARTMAN GEORGE (US) 2005-01-06 US claimed
US-20040265382-A1 Cyclooxygenase-2 inhibitor compositions having rapid onset of therapeutic effect KARARLI TUGRUL T (US) 2004-12-30 US claimed
US-20040242640-A1 Dual-release compositions of a cyclooxygenase-2 inhibitor DESAI SUBHASH (IL) 2004-12-02 US claimed
EP-1175214-B1 CYCLOOXYGENASE-2 INHIBITOR COMPOSITIONS HAVING RAPID ONSET OF THERAPEUTIC EFFECT PHARMACIA CORP (US) 2004-11-24 EP claimed
US-20020040039-A1 Treatment of inflammation with a combination of a cyclooxygenase-2 inhibitor and an integrin alpha-v antagonist HARTMAN GEORGE (US) 2002-04-04 US claimed
WO-2002022124-A1 TREATMENT OF INFLAMMATION WITH A COMBINATION OF A CYCLOOXYGENASE-2 INHIBITOR AND AN INTEGRIN ALPHA-V ANTAGONIST MERCK & CO., INC. (US) 2002-03-21 WO claimed
US-20020015735-A1 Sustained-release formulation of a cyclooxygenase-2 inhibitor PHARMACIA CORPORATION 2002-02-07 US claimed
EP-1175214-A2 CYCLOOXYGENASE-2 INHIBITOR COMPOSITIONS HAVING RAPID ONSET OF THERAPEUTIC EFFECT Pharmacia Corporation (US) 2002-01-30 EP claimed
WO-2001045706-A1 DUAL-RELEASE COMPOSITIONS OF A CYCLOOXYGENASE-2- INHIBITOR PHARMACIA CORPORATION (US) 2001-06-28 WO claimed
WO-2001045705-A1 SUSTAINED-RELEASE FORMULATION OF A CYCLOOXYGENASE-2 INHIBITOR PHARMACIA CORPORATION (US) 2001-06-28 WO claimed
WO-2001041760-A2 CYCLOOXYGENASE-2 INHIBITOR COMPOSITIONS HAVING RAPID ONSET OF THERAPEUTIC EFFECT PHARMACIA CORPORATION (US) 2001-06-14 WO claimed
EP-0912518-A1 SUBSTITUTED PYRIDINES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1999-05-06 EP claimed
US-5861419-A ANTIINFLAMMATORY AGENTS; ANTIPYRETICS, ANALGESICS; ETORICOXIB PATENT MERCK FROSST CANAD, INC. (CA) 1999-01-19 US claimed
WO-1998003484-A1 SUBSTITUTED PYRIDINES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-01-29 WO 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 (6 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-20130245272-A1 PROCESS FOR CYCLOOXYGENASE-2 SELECTIVE INHIBITOR PTGS2, PTGIS, PTGES2 PTGS2 1/4885PTGS1 4/4885ABCC4 2658/4885
US-20020040039-A1 Treatment of inflammation with a combination of a cyclooxygenase-2 inhibitor and an integrin alpha-v antagonist ITGAV, ITGA5, ITGA2 PTGS2 28/4885PTGS1 37/4885ABCC4 1871/4885
US-20050004199-A1 Treatment of inflammation with a combination of a cyclooxygenase-2 inhibitor and an integrin alpha-v antagonist ITGAV, ITGA5, ITGB5 PTGS2 27/4885PTGS1 36/4885ABCC4 2019/4885
US-20040242640-A1 Dual-release compositions of a cyclooxygenase-2 inhibitor PTGS2, PTGES2, PTGER2 PTGS2 1/4885PTGS1 4/4885ABCC4 2606/4885
US-20020015735-A1 Sustained-release formulation of a cyclooxygenase-2 inhibitor PTGS2, PTGES2, PTGS1 PTGS2 1/4885PTGS1 3/4885ABCC4 1490/4885
US-20040265382-A1 Cyclooxygenase-2 inhibitor compositions having rapid onset of therapeutic effect PTGES2, PTGS2, PTGS1 PTGS2 2/4885PTGS1 3/4885ABCC4 4220/4885

“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.