SCHEMBL4832866

SCHEMBL4832866

CSc1ccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)cc(=O)[nH]c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.53
PTGS1 P23219 7/20 0.53
CHRNA7 P36544 7/20 0.43
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
CYP2D6 P10635 1/20 0.41

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
SCHEMBL4842591 0.86 PTGS2 (0.60) PTGS2PTGS1CHRNA7CA12CA1
SCHEMBL4841032 0.84 CA2 (0.53) PTGS2PTGS1CHRNA7CA12CA1
SCHEMBL4844792 0.84 PTGS2 (0.60) PTGS2PTGS1CHRNA7CA12CA1
SCHEMBL4836000 0.83 ATM (0.43) PTGS2PTGS1
SCHEMBL4837329 0.83 ATM (0.43) PTGS2PTGS1
SCHEMBL4839356 0.83 CA1 (0.58) PTGS2PTGS1CHRNA7CA12CA1
SCHEMBL4832876 0.83 PTGS2 (0.58) PTGS2PTGS1CHRNA7CA12CA1
SCHEMBL4837510 0.82 ATM (0.39)
SCHEMBL4842098 0.82 HPGD (0.42) PTGS2PTGS1
SCHEMBL4832753 0.82 SMN1; SMN2 (0.47) PTGS2PTGS1CHRNA7

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 663/4885CHRNA7 3569/4885
US-20060194799-A1 Novel pyrimidinedione derivatives TYMS, TYMP, DPYD PTGS2 1815/4885PTGS1 1060/4885CHRNA7 3409/4885

“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.