SCHEMBL8080236

SCHEMBL8080236

CC(C)C1(C)OC(=O)C(c2ccc(F)cc2)=C1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.70
PTGS1 P23219 9/20 0.69

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
SCHEMBL3240080 0.84 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL7829892 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7838404 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8067255 0.80 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL8076878 0.80 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL7840462 0.80 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8076957 0.80 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL8098676 0.79 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL8077235 0.78 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6990073 0.78 PTGS2 (0.66) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6133292-A NON-STEROIDAL ANTIINFLAMMATORY DRUG, INHIBIT HORMONE-INDUCED UTERINE CONTRACTIONS, ANTICARCINOGENIC AGENTS, ANTIPYRETICS; ANALGESICS; SIDE EFFECT REDUCTION; PREVENT THE SYNTHESIS OF CONTRACTILE PROSTANOIDS, DYSMENORRHEA, ASTHMA MERCK FROSST CANADA & CO. (CA) 2000-10-17 US claimed
EP-1028951-A1 DIARYL-5-ALKYL-5-METHYL-2(5H)-FURANONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 2000-08-23 EP claimed
WO-1999023087-A1 DIARYL-5-ALKYL-5-METHYL-2(5H)-FURANONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA & CO. (CA) 1999-05-14 WO claimed
US-6133292-A NON-STEROIDAL ANTIINFLAMMATORY DRUG, INHIBIT HORMONE-INDUCED UTERINE CONTRACTIONS, ANTICARCINOGENIC AGENTS, ANTIPYRETICS; ANALGESICS; SIDE EFFECT REDUCTION; PREVENT THE SYNTHESIS OF CONTRACTILE PROSTANOIDS, DYSMENORRHEA, ASTHMA MERCK FROSST CANADA & CO. (CA) 2000-10-17 US disclosed
EP-1028951-A1 DIARYL-5-ALKYL-5-METHYL-2(5H)-FURANONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 2000-08-23 EP disclosed
WO-1999023087-A1 DIARYL-5-ALKYL-5-METHYL-2(5H)-FURANONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA & CO. (CA) 1999-05-14 WO disclosed