SCHEMBL4893623

SCHEMBL4893623

CCc1ccc(-c2ncc(Cl)cc2-c2cccc(S(C)(=O)=O)c2)cn1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.79
PTGS1 P23219 10/20 0.79
ABCC4 O15439 1/20 0.57
ABCB11 O95342 1/20 0.57
PDE4D Q08499 1/20 0.57
MAPK14 Q16539 1/20 0.57
EPHB4 P54760 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.39
RIPK2 O43353 1/20 0.39
NOD2 Q9HC29 1/20 0.39

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
SCHEMBL4893617 0.89 PTGS2 (1.00) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL4891283 0.85 PTGS2 (0.93) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL237979 0.85 PTGS2 (0.78) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL5356064 0.85 PTGS2 (0.63) PTGS2PTGS1ABCC4ABCB11PDE4D
Hydrochloric Acid SCHEMBL4892177 0.84 PTGS2 (0.76) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL4891343 0.81 PTGS2 (0.80) PTGS2PTGS1ABCC4ABCB11PDE4D
Hydrochloric Acid SCHEMBL4889395 0.81 PTGS2 (0.78) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL6069846 0.81 PTGS2 (0.80) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL4888355 0.80 PTGS2 (0.75) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL13575819 0.80 PTGS2 (0.83) 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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20040029921-A1 Substituted pyridines as selective cyclooxygenase-2 inhibitors MERCK FROSST CANADA & CO. 2004-02-12 US claimed
EP-1322311-A1 TREATMENT OF INFLAMMATION WITH A COMBINATION OF A CYCLOOXYGENASE-2 INHIBITOR AND AN INTEGRIN ALPHA-V ANTAGONIST Merck & Co., Inc. (US) 2003-07-02 EP claimed
US-20030065011-A1 Substituted pyridines as selective cyclooxygenase-2 inhibitors MERCK FROSST CANADA & CO. 2003-04-03 US claimed
US-20020042375-A1 Method of treating cancer HEIMBROOK DAVID C (US) 2002-04-11 US 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
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
US-20080293679-A1 Use of carotenoids and/or carotenoid derivatives/analogs for reduction/inhibition of certain negative effects of COX inhibitors CARDAX PHARMACEUTICALS, INC. 2008-11-27 US disclosed
US-7265134-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-09-04 US disclosed
EP-1259235-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2007-08-01 EP disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7109204-B2 controlling signal transduction; anticancer agents, antitumor agents, atherosclerosis, vision defects, antidiabetic agents, antiinflammatory agents MERCK & CO., INC. (US) 2006-09-19 US disclosed
US-6071936-A ANTIINFLAMMATORY AGENTS ANTIPYRETICS, ANALGESICS, ANTICARCINOGENIC AGENTS, SIDE EFFECT REDUCTION MERCK FROSST CANADA & CO. (CA) 2000-06-06 US disclosed
US-6001843-A Substituted pyridines as selective cyclooxygenase-2 inhibitors MERCK & CO., INC. (US) 1999-12-14 US disclosed
EP-0912518-A1 SUBSTITUTED PYRIDINES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1999-05-06 EP disclosed
US-5861419-A ANTIINFLAMMATORY AGENTS; ANTIPYRETICS, ANALGESICS; ETORICOXIB PATENT MERCK FROSST CANAD, INC. (CA) 1999-01-19 US disclosed
WO-1998003484-A1 SUBSTITUTED PYRIDINES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-01-29 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 (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-20020042375-A1 Method of treating cancer ACP3, KLK3, FOLH1 PTGS2 14/4885PTGS1 20/4885ABCC4 3154/4885
US-20080293679-A1 Use of carotenoids and/or carotenoid derivatives/analogs for reduction/inhibition of certain negative effects of COX inhibitors LPL, ALOX12, LCLAT1 PTGS2 9/4885PTGS1 26/4885ABCC4 1599/4885
US-20030065011-A1 Substituted pyridines as selective cyclooxygenase-2 inhibitors PTGS2, PTGES2, PTGS1 PTGS2 1/4885PTGS1 3/4885ABCC4 1696/4885
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-20040029921-A1 Substituted pyridines as selective cyclooxygenase-2 inhibitors PTGS2, PTGES2, PTGS1 PTGS2 1/4885PTGS1 3/4885ABCC4 1696/4885

“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.