SCHEMBL3842936

SCHEMBL3842936

CCCCC#CC(SC(C#CCCCC)c1ccccc1OC(C)=O)c1ccccc1OC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.63
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 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
SCHEMBL7996163 0.96 PTGS2 (0.59) PTGS2PPARGPPARA
SCHEMBL7984443 0.95 PTGS2 (0.58) PTGS2PPARGPPARA
SCHEMBL7996233 0.95 PTGS2 (0.58) PTGS2PPARGPPARA
SCHEMBL6534900 0.92 PTGS2 (0.55) PTGS2
SCHEMBL7998377 0.90 PTGS2 (0.52) PTGS2PPARGPPARA
SCHEMBL8001950 0.89 PTGS2 (0.60) PTGS2PPARGPPARA
SCHEMBL6535165 0.87 PTGS2 (0.53) PTGS2
SCHEMBL7998196 0.83 PTGS2 (0.61) PTGS2PPARGPPARA
SCHEMBL3842942 0.83 PTGS2 (0.61) PTGS2PPARGPPARA
SCHEMBL7998132 0.81 PTGS2 (0.42) PTGS2PPARGPPARA

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 30 patents — showing the first 20. 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 claimed
US-6284918-B1 ENZYME INHIBITORS VANDERBILT UNIVERSITY 2001-09-04 US claimed
EP-0958275-A1 SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 VANDERBILT UNIVERSITY (US) 1999-11-24 EP claimed
US-5973191-A AN ACETOXYPHENYLALKYL SULFIDE, SALT OR HYDRATE VANDERBILT UNIVERSITY (US) 1999-10-26 US claimed
WO-1998029382-A1 SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 VANDERBILT UNIVERSITY (US) 1998-07-09 WO claimed
US-20210196731-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR INFLAMMATION AND OCULAR SCARRING ARMSTRONG JAMES JACOB BRUVALL (CA) 2021-07-01 US disclosed
EP-3801624-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR INFLAMMATION AND OCULAR SCARRING Armstrong, James Jacob Bruvall (CA) 2021-04-14 EP disclosed
WO-2019227207-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR INFLAMMATION AND OCULAR SCARRING ARMSTRONG JAMES JACOB BRUVALL (CA) 2019-12-05 WO disclosed
US-20090252678-A1 COX-2-TARGETED IMAGING AGENTS VANDERBILT UNIVERSITY (US) 2009-10-08 US disclosed
EP-2040699-A2 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 Vanderbilt University Medical Center (US) 2009-04-01 EP disclosed
WO-2007149456-A2 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2007-12-27 WO disclosed
EP-1638612-A2 COX-2-TARGETED IMAGING AGENTS Vanderbilt University (US) 2006-03-29 EP disclosed
US-6387959-B1 ADINISTERING A SULFUR CONTAINING BENZOIC ACID ESTER UNIVERSITEIT UTRECHT (NL) 2002-05-14 US disclosed
EP-1194141-A1 ANTIVIRAL THERAPY Universitair Medisch Centrum Utrecht (NL) 2002-04-10 EP disclosed
US-6284918-B1 ENZYME INHIBITORS VANDERBILT UNIVERSITY 2001-09-04 US disclosed
WO-2001001985-A1 ANTIVIRAL THERAPY UNIVERSITAIR MEDISCH CENTRUM UTRECHT (NL) 2001-01-11 WO disclosed
EP-1064940-A1 Antiviral therapy Universitair Medisch Centrum Utrecht (NL) 2001-01-03 EP 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

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-20090252678-A1 COX-2-TARGETED IMAGING AGENTS PTGS2, PTGES2, PTGER2 PTGS2 1/4885PPARG 245/4885PPARA 323/4885

“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.