SCHEMBL6069633

SCHEMBL6069633

CS(=O)(=O)c1cccc(-c2cc(Cl)cnc2Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.51
PTGS1 P23219 7/20 0.51
ABCC4 O15439 1/20 0.47
ABCB11 O95342 1/20 0.47
PDE4D Q08499 1/20 0.47
MAPK14 Q16539 1/20 0.47
EPHB4 P54760 1/20 0.46
JAK2 O60674 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
KCNH2 Q12809 2/20 0.43
CNR1 P21554 1/20 0.42
CYP2C9 P11712 1/20 0.41

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
SCHEMBL6069536 0.86 EPHB4 (0.54) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL6069781 0.86 PTGS2 (0.49) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL6069927 0.86 PTGS2 (0.49) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL5356064 0.83 PTGS2 (0.63) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL6069630 0.83 PTGS2 (0.66) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL6069666 0.82 PTGS2 (0.52) PTGS2PTGS1LOXL2NR1H2NR1H3
SCHEMBL4888355 0.81 PTGS2 (0.75) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL6170030 0.81 CYP2C9 (0.50) PTGS2PTGS1EPHB4JAK2LOXL2
SCHEMBL4891343 0.80 PTGS2 (0.80) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL4889548 0.79 PTGS2 (0.78) 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060715-B2 Substituted pyridines as selective cyclooxygenase-2 inhibitors MERCK FROSST CANADA LTD. (CA) 2006-06-13 US disclosed
EP-1015431-B1 2-AMINOPYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC (CA) 2005-04-20 EP disclosed
US-20050009875-A1 Substituted pyridines as selective cyclooxygenase-2 inhibitors MERCK CANADA INC. (CA) 2005-01-13 US disclosed
US-6812346-B2 ANTIINFLAMMATORY AGENTS; ANTIPYRETICS; ANALGESICS MERCK FROSST CANADA AND CO. (CA) 2004-11-02 US disclosed
EP-1012142-B1 2,3,5-TRISUBSTITUTED PYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC (CA) 2004-08-11 EP disclosed
EP-1024696-A4 COMBINATION THERAPY FOR REDUCING THE RISKS ASSOCIATED WITH CARDIO- AND CEREBROVASCULAR DISEASE MERCK & CO INC (US) 2004-07-14 EP disclosed
US-20040029921-A1 Substituted pyridines as selective cyclooxygenase-2 inhibitors MERCK FROSST CANADA & CO. 2004-02-12 US disclosed
EP-0912518-B1 SUBSTITUTED PYRIDINES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2003-09-10 EP disclosed
US-6596736-B2 Well as a method of treating COX-2 mediated diseases comprising administration to a patient in need of such treatment of a non- toxic therapeutically effective amount of a compound of Formula I. pain, dysmenorrhea, myositis, MERCK & CO., INC. 2003-07-22 US disclosed
US-20030065011-A1 Substituted pyridines as selective cyclooxygenase-2 inhibitors MERCK FROSST CANADA & CO. 2003-04-03 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-6046217-A TREATING AN INFLAMMATORY DISEASE SUSCEPTIBLE TO TREATMENT WITH A NON-STEROIDAL ANTI-INFLAMMATORY AGENT COMPRISING ADMINISTERING TO A PATIENT IN NEED OF SUCH TREATMENT A NONTOXIC 3-PHENYL SUBSTITUTED PYRIDINES MERCK FROSST CANADA & CO. (CA) 2000-04-04 US disclosed
US-6004950-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS; ANALGESIC, ANTIPYRETICS; SIDE EFFECT REDUCTION MERCK FROSST CANADA, INC. (CA) 1999-12-21 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
WO-1999020110-A1 COMBINATION THERAPY FOR REDUCING THE RISKS ASSOCIATED WITH CARDIO- AND CEREBROVASCULAR DISEASE MERCK & CO., INC. (US) 1999-04-29 WO disclosed
WO-1999014194-A1 2,3,5-TRISUBSTITUTED PYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA & CO. (CA) 1999-03-25 WO disclosed
WO-1999014195-A1 2-AMINOPYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA & CO. (CA) 1999-03-25 WO 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 (3 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-20050009875-A1 Substituted pyridines as selective cyclooxygenase-2 inhibitors PTGS2, PTGES2, PTGS1 PTGS2 1/4885PTGS1 3/4885ABCC4 1721/4885
US-20030065011-A1 Substituted pyridines as selective cyclooxygenase-2 inhibitors PTGS2, PTGES2, PTGS1 PTGS2 1/4885PTGS1 3/4885ABCC4 1696/4885
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.