SCHEMBL3832067

SCHEMBL3832067

CC1(C)C(=O)C(c2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 1.00
PTGS1 P23219 13/20 1.00
ABCB11 O95342 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MT-CO2 P00403 1/20 0.52
HTR1A P08908 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
MC4R P32245 1/20 0.52

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
SCHEMBL7565211 1.00 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL7567995 0.94 PTGS2 (0.88) PTGS2PTGS1
SCHEMBL7565288 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7573838 0.86 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL7567996 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7569451 0.86 PTGS2 (0.76) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL7567543 0.84 PTGS2 (0.72) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL7567551 0.84 PTGS2 (0.72) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL7568422 0.83 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL7568223 0.83 PTGS2 (0.73) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889878-B1 BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS MERCK FROSST CANADA INC (CA) 2002-09-04 EP claimed
EP-0889878-A1 BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS MERCK FROSST CANADA INC. (CA) 1999-01-13 EP claimed
US-5817700-A ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1998-10-06 US claimed
WO-1997036863-A1 BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-10-09 WO claimed
EP-2101736-A2 HOMOGENEOUS PASTE AND GEL FORMULATIONS Merial Limited (US) 2009-09-23 EP disclosed
WO-2008077130-A2 HOMOGENEOUS PASTE AND GEL FORMULATIONS MERIAL LIMITED (US) 2008-06-26 WO disclosed
US-20080027011-A1 Homogeneous paste and gel formulations MERIAL LIMITED 2008-01-31 US disclosed
WO-2007129169-A2 COX- II INHIBITORS FOR IMPROVING REPRODUCTIVE SUCCESS IN A FEMALE ANIMAL PFIZER LIMITED (GB) 2007-11-15 WO disclosed
EP-1140192-B1 USE OF THE CYCLOOXYGENASE-2 INHIBITOR CELECOXIB AND CAPECITABINE FOR COMBINATION THERAPY IN NEOPLASIA SEARLE LLC (US) 2006-04-05 EP disclosed
EP-0889878-B1 BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS MERCK FROSST CANADA INC (CA) 2002-09-04 EP disclosed
US-20020061896-A1 Imidazopyrimidine nucleoside analogues with anti-HIV activity BIOCHEM PHARMA, INC. (CA) 2002-05-23 US disclosed
EP-0889878-A1 BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS MERCK FROSST CANADA INC. (CA) 1999-01-13 EP disclosed
US-5817700-A ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1998-10-06 US disclosed
WO-1997036863-A1 BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-10-09 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 (2 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-20020061896-A1 Imidazopyrimidine nucleoside analogues with anti-HIV activity TYMP, PNP, SLC29A1 PTGS2 3147/4885PTGS1 1698/4885ABCB11 200/4885
US-20080027011-A1 Homogeneous paste and gel formulations EPX, CAT, PEF1 PTGS2 329/4885PTGS1 101/4885ABCB11 200/4885

“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.