SCHEMBL2011896

SCHEMBL2011896

COc1ccc2c(c1)c(CC(=O)Nc1ccc([Si](C)(C)C)cc1)c(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.88

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.88
MAPT P10636 5/20 0.86
KMT2A Q03164 1/20 0.86
NPSR1 Q6W5P4 1/20 0.86
LMNA P02545 1/20 0.82
GAA P10253 1/20 0.82
CA12 O43570 1/20 0.76
CA1 P00915 1/20 0.76
CA2 P00918 1/20 0.76
CA4 P22748 1/20 0.76
CA9 Q16790 1/20 0.76
THRB P10828 1/20 0.75
PTGS1 P23219 1/20 0.72

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
SCHEMBL29392557 0.90 PTGS2 (1.00) PTGS2MAPTKMT2ANPSR1LMNA
SCHEMBL5099906 0.89 PTGS2 (0.91) PTGS2MAPTKMT2ANPSR1LMNA
SCHEMBL2010510 0.89 PTGS2 (0.80) PTGS2MAPTKMT2ANPSR1LMNA
SCHEMBL2005967 0.88 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL2007083 0.85 PTGS2 (0.74) PTGS2MAPTKMT2ANPSR1PTGS1
SCHEMBL29390409 0.84 PTGS2 (1.00) PTGS2MAPTKMT2ANPSR1LMNA
SCHEMBL2011804 0.84 PTGS2 (0.73) PTGS2MAPTKMT2ANPSR1PTGS1
SCHEMBL2009163 0.84 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL2009164 0.84 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL14405006 0.84 PTGS2 (1.00) PTGS2MAPTKMT2ANPSR1LMNA

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 2/4885MAPT 197/4885KMT2A 2076/4885

“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.