SCHEMBL3248281

SCHEMBL3248281

NS(=O)(=O)c1ccc(-c2sccc2-c2ccc(F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 14/20 1.00
PTGS2 P35354 12/20 1.00
MAPK14 Q16539 1/20 0.58

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
SCHEMBL3246289 1.00 PTGS1 (1.00) PTGS1PTGS2MAPK14
SCHEMBL27434557 0.86 PTGS2 (0.75) PTGS1PTGS2
SCHEMBL9259229 0.84 PTGS2 (1.00) PTGS1PTGS2
SCHEMBL8985356 0.84 PTGS2 (1.00) PTGS1PTGS2
SCHEMBL7788130 0.84 PTGS2 (0.73) PTGS1PTGS2MAPK14
SCHEMBL10843937 0.83 MAPK14 (0.79) PTGS1PTGS2MAPK14
SCHEMBL3248283 0.78 PTGS1 (0.63) PTGS1PTGS2MAPK14
SCHEMBL1430142 0.77 CA2 (0.76) PTGS1PTGS2
SCHEMBL6050794 0.77 PTGS2 (1.00) PTGS1PTGS2
SCHEMBL5698536 0.76 PTGS2 (1.00) PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390026-B1 TREATMENT OF HPV CAUSED DISEASES CORNELL RES FOUNDATION INC (US) 2010-05-05 EP claimed
EP-1146789-B1 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/NEU CORNELL RES FOUNDATION INC (US) 2009-03-18 EP claimed
US-20010016595-A1 Use of inhibitors of cyclooxygenase in the treatment of neurodegenerative diseases MERCK FROSST CANADA INC./MERCK FROSST CANADA & CO. 2001-08-23 US claimed
EP-0980866-A2 Phenyl heterocycles as cyclooxygenase-2 inhibitors Merck Frosst Canada & Co. (CA) 2000-02-23 EP claimed
JP-2977137-B2 1999-11-10 JP claimed
US-5840746-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1998-11-24 US claimed
EP-0822190-A1 Phenyl heterocycles as cyclooxygenase-2 inhibitors MERCK FROSST CANADA INC. (CA) 1998-02-04 EP claimed
EP-0754687-A1 Phenyl heterocycles as cyclooxygenase-2 inhibitors MERCK FROSST CANADA INC. (CA) 1997-01-22 EP claimed
CN-1125944-A Phenyl heterocyclic compounds useful as cyclooxygenase-2 inhibitors MERCK FROSST CANADA INC (CA) 1996-07-03 CN claimed
EP-0705254-A1 PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-04-10 EP claimed
WO-1995000501-A2 PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1995-01-05 WO claimed
EP-1146789-B1 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/NEU CORNELL RES FOUNDATION INC (US) 2009-03-18 EP disclosed
EP-1039914-A4 CYCLOOXYGENASE-2 INHIBITION CORNELL RES FOUNDATION INC (US) 2007-06-27 EP disclosed
US-7041694-B1 Cyclooxygenase-2 inhibition CORNELL RESEARCH FOUNDATION, INC. (US) 2006-05-09 US disclosed
EP-1109553-A4 TREATING INFLAMMATORY DISEASES OF THE HEAD AND NECK WITH CYCLOOXYGENASE-2 INHIBITORS CORNELL RES FOUNDATION INC (US) 2003-12-10 EP disclosed
WO-1996011676-A1 USE OF INHIBITORS OF CYCLOOXYGENASE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES MERCK SHARP & DOHME LIMITED (GB) 1996-04-25 WO disclosed
EP-0705254-A1 PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-04-10 EP disclosed
US-5474995-A Nonsteroidal, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1995-12-12 US disclosed
WO-1995018799-A1 PHENYL HETEROCYCLES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1995-07-13 WO disclosed
WO-1995000501-A2 PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1995-01-05 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 (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-20010016595-A1 Use of inhibitors of cyclooxygenase in the treatment of neurodegenerative diseases PTGS1, PTGES2, PTGS2 PTGS1 1/4885PTGS2 3/4885MAPK14 1869/4885

“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.