SCHEMBL2011841

SCHEMBL2011841

COc1ccc2c(c1)c(CC(=O)NCCCCC[Si](C)(C)C)c(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.84
PTGS1 P23219 4/20 0.82
HRH4 Q9H3N8 2/20 0.81
HDAC3 O15379 3/20 0.80
HDAC1 Q13547 3/20 0.80
HDAC8 Q9BY41 3/20 0.80
HDAC6 Q9UBN7 3/20 0.80
HDAC2 Q92769 1/20 0.80
CA12 O43570 1/20 0.71
CA1 P00915 1/20 0.71
CA2 P00918 1/20 0.71
CA4 P22748 1/20 0.71
CA9 Q16790 1/20 0.71

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
SCHEMBL2007430 1.00 PTGS2 (0.84) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL2008500 1.00 PTGS2 (0.84) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL2006437 0.99 PTGS2 (0.84) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL2011879 0.96 PTGS2 (0.83) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL11157847 0.91 PTGS2 (1.00) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL11152422 0.91 PTGS2 (1.00) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL6398477 0.91 PTGS2 (1.00) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL14346030 0.91 PTGS2 (1.00) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL17378082 0.90 PTGS2 (0.85) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL17378182 0.90 PTGS2 (0.85) PTGS2PTGS1HRH4HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129331-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF LIPOPHILIC, SILICON-SUBSTITUTED, CYCLOOXYGENASE-2 SELECTIVE NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND DERIVATIVES RND PHARMACEUTICALS, INC. (US) 2007-06-07 US claimed
EP-1737471-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF LIPOPHILIC, SILICON-SUBSTITUTED, CYCLOOXYGENASE-2 SELECTIVE NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND DERIVATIVES RND Pharmaceuticals (US) 2007-01-03 EP claimed
WO-2005102358-A2 SILICONE-SUBSTITUTED COX-2 SELECTIVE INHIBITORS RND PHARMACEUTICALS (US) 2005-11-03 WO claimed
US-7964738-B2 Pharmaceutical compositions and methods of use of lipophilic, silicon-substituted, cyclooxygenase-2 selective non-steroidal anti-inflammatory drugs and derivatives SILAMED, INC. (US) 2011-06-21 US disclosed
US-20070129331-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF LIPOPHILIC, SILICON-SUBSTITUTED, CYCLOOXYGENASE-2 SELECTIVE NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND DERIVATIVES RND PHARMACEUTICALS, INC. (US) 2007-06-07 US disclosed
EP-1737471-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF LIPOPHILIC, SILICON-SUBSTITUTED, CYCLOOXYGENASE-2 SELECTIVE NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND DERIVATIVES RND Pharmaceuticals (US) 2007-01-03 EP disclosed
WO-2005102358-A2 SILICONE-SUBSTITUTED COX-2 SELECTIVE INHIBITORS RND PHARMACEUTICALS (US) 2005-11-03 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-20070129331-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF LIPOPHILIC, SILICON-SUBSTITUTED, CYCLOOXYGENASE-2 SELECTIVE NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND DERIVATIVES PTGES2, PTGS2, SI PTGS2 2/4885PTGS1 5/4885HRH4 1864/4885

“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.