SCHEMBL4837202

SCHEMBL4837202

CCc1ccc(-c2cc(=O)[nH]c(=O)n2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.61
PTGS1 P23219 6/20 0.61

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
SCHEMBL4837353 0.86 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL4833096 0.85 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL4837118 0.85 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL4842319 0.84 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL4842060 0.81 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL4840470 0.78 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL4832514 0.78 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL4841585 0.76 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8073215 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL4842591 0.74 PTGS2 (0.60) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399760-B2 1-(4-Methylsulfanyl-phenyl)-6-phenyl-pyrimidin-2,4-(1H)-dione;cyclooxygenase and prostaglandin inhibitor; tumor necrosis factor and interleukins 1, 6, 8, 12 antagonist; BEXEL PHARMACEUTICALS INC. (US) 2008-07-15 US claimed
US-7101873-B2 Pyrimidinedione derivatives BEXEL PHARMACEUTICALS INC. (US) 2006-09-05 US claimed
US-20060194799-A1 Novel pyrimidinedione derivatives BEXEL PHARMACEUTICALS INC. (US) 2006-08-31 US claimed
US-20040009975-A1 Novel pyrimidinedione derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2004-01-15 US claimed
WO-2003084937-A2 PYRIMIDINEDIONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOLOGICAL DISEASES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-10-16 WO claimed
US-7399760-B2 1-(4-Methylsulfanyl-phenyl)-6-phenyl-pyrimidin-2,4-(1H)-dione;cyclooxygenase and prostaglandin inhibitor; tumor necrosis factor and interleukins 1, 6, 8, 12 antagonist; BEXEL PHARMACEUTICALS INC. (US) 2008-07-15 US disclosed
US-7101873-B2 Pyrimidinedione derivatives BEXEL PHARMACEUTICALS INC. (US) 2006-09-05 US disclosed
US-20060194799-A1 Novel pyrimidinedione derivatives BEXEL PHARMACEUTICALS INC. (US) 2006-08-31 US disclosed
US-20040009975-A1 Novel pyrimidinedione derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2004-01-15 US disclosed
WO-2003084937-A2 PYRIMIDINEDIONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOLOGICAL DISEASES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-10-16 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-20040009975-A1 Novel pyrimidinedione derivatives TYMS, DPYD, TYMP PTGS2 1638/4885PTGS1 663/4885
US-20060194799-A1 Novel pyrimidinedione derivatives TYMS, TYMP, DPYD PTGS2 1815/4885PTGS1 1060/4885

“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.