SCHEMBL5205737

SCHEMBL5205737

CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2-c2ccc(F)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.71
PTGS1 P23219 8/20 0.71
IDO1 P14902 1/20 0.54

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
SCHEMBL5210900 0.90 PTGS2 (0.78) PTGS2PTGS1IDO1
SCHEMBL5205833 0.89 PTGS2 (0.69) PTGS2PTGS1IDO1
SCHEMBL5205742 0.88 PTGS2 (0.62) PTGS2PTGS1IDO1
SCHEMBL5150967 0.86 PTGS2 (0.69) PTGS2PTGS1IDO1
SCHEMBL4888051 0.83 PTGS2 (1.00) PTGS2PTGS1IDO1
SCHEMBL5208155 0.82 PTGS2 (0.71) PTGS2PTGS1IDO1
SCHEMBL5809759 0.80 PTGS2 (0.65) PTGS2PTGS1IDO1
SCHEMBL6069511 0.80 PTGS2 (0.65) PTGS2PTGS1IDO1
SCHEMBL6069872 0.80 MAP4K4 (0.68) PTGS2PTGS1IDO1
SCHEMBL6913549 0.80 PTGS2 (0.65) PTGS2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029921-A1 Substituted pyridines as selective cyclooxygenase-2 inhibitors MERCK FROSST CANADA & CO. 2004-02-12 US 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
EP-0912518-A1 SUBSTITUTED PYRIDINES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1999-05-06 EP claimed
WO-1998003484-A1 SUBSTITUTED PYRIDINES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-01-29 WO claimed
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-7101884-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-09-05 US disclosed
US-7060715-B2 Substituted pyridines as selective cyclooxygenase-2 inhibitors MERCK FROSST CANADA LTD. (CA) 2006-06-13 US disclosed
EP-1404672-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2006-01-18 EP disclosed
US-20010044451-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2001-11-22 US disclosed
US-6313138-B1 FOR THERAPY OF ANGIOGENESIS, CANCER, TUMOR GROWTH, ATHEROSCLEROSIS, AGE RELATED MACULAR DEGENERATION, DIABETIC RETINOPATHY, INFLAMMATORY DISEASES IN MAMMALS MERCK & CO., INC. 2001-11-06 US disclosed
WO-2001062252-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-08-30 WO 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 (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-20020042375-A1 Method of treating cancer ACP3, KLK3, FOLH1 PTGS2 14/4885PTGS1 20/4885IDO1 3022/4885
US-20030065011-A1 Substituted pyridines as selective cyclooxygenase-2 inhibitors PTGS2, PTGES2, PTGS1 PTGS2 1/4885PTGS1 3/4885IDO1 91/4885
US-20010044451-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 PTGS2 983/4885PTGS1 791/4885IDO1 2061/4885
US-20040029921-A1 Substituted pyridines as selective cyclooxygenase-2 inhibitors PTGS2, PTGES2, PTGS1 PTGS2 1/4885PTGS1 3/4885IDO1 91/4885

“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.