SCHEMBL6535129

SCHEMBL6535129

CCCCCCCSc1ccccc1OC(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 1.00

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
SCHEMBL13659627 0.98 PTGS2 (1.00) PTGS2
SCHEMBL7998637 0.87 PTGS2 (1.00) PTGS2
SCHEMBL25738350 0.83 PTGS2 (0.71) PTGS2
SCHEMBL11691415 0.83 PTGS2 (0.71) PTGS2
SCHEMBL13659592 0.83 PTGS2 (0.72) PTGS2
SCHEMBL26068017 0.82 PTGS2 (0.71) PTGS2
SCHEMBL5316867 0.80 PTGS2 (0.66) PTGS2
SCHEMBL14273054 0.79 PTGS2 (0.79) PTGS2
SCHEMBL13655586 0.78 PTGS2 (1.00) PTGS2
SCHEMBL3842943 0.78 PTGS2 (1.00) PTGS2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958275-A4 SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 UNIV VANDERBILT (US) 2004-12-01 EP disclosed
EP-1282423-A2 PREVENTION OF INSULIN-DEPENDENT DIABETES, COMPLICATIONS THEREOF, OR ALLOGRAFT REJECTION BY INHIBITION OF CYCLOOXYGENASE-2 ACTIVITY WITH NS398 OR PDTC Oklahoma Medical Research Foundation (US) 2003-02-12 EP disclosed
US-20030017148-A1 Prevention of insulin-dependent diabetes, complications thereof, or allograft rejection by inhibition of cyclooxygenase-2 activity OKLAHOMA MEDICAL RESEARCH FOUNDATION 2003-01-23 US disclosed
WO-2001085175-A2 PREVENTION OF INSULIN-DEPENDENT DIABETES, COMPLICATIONS THEREOF, OR ALLOGRAFT REJECTION BY INHIBITION OF CYCLOOXYGENASE-2 ACTIVITY WITH NS398 OR PDTC OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2001-11-15 WO disclosed
US-6284918-B1 ENZYME INHIBITORS VANDERBILT UNIVERSITY 2001-09-04 US disclosed
EP-0958275-A1 SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 VANDERBILT UNIVERSITY (US) 1999-11-24 EP disclosed
US-5973191-A AN ACETOXYPHENYLALKYL SULFIDE, SALT OR HYDRATE VANDERBILT UNIVERSITY (US) 1999-10-26 US disclosed
WO-1998029382-A1 SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 VANDERBILT UNIVERSITY (US) 1998-07-09 WO disclosed