SCHEMBL13742829

SCHEMBL13742829

Cc1ccc(C2=C(c3cccc(F)c3)C(=O)OC2(C)C)cc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.73
PTGS1 P23219 6/20 0.73
PGR P06401 4/20 0.47
NR3C1 P04150 1/20 0.46
NR3C2 P08235 1/20 0.46

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
SCHEMBL8112979 0.85 PTGS2 (0.68) PTGS2PTGS1PGRNR3C1NR3C2
SCHEMBL439345 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL29748909 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL27456659 0.83 PTGS2 (0.80) PTGS2PTGS1PGR
SCHEMBL27457609 0.82 PTGS2 (0.64) PTGS2PTGS1PGRNR3C1NR3C2
SCHEMBL8112981 0.81 PTGS2 (0.56) PTGS2PTGS1PGRNR3C1NR3C2
SCHEMBL13751996 0.80 PTGS2 (0.61) PTGS2PTGS1PGRNR3C1NR3C2
SCHEMBL6734121 0.80 PTGS2 (0.71) PTGS2PTGS1PGRNR3C1NR3C2
SCHEMBL13866612 0.80 PTGS2 (0.61) PTGS2PTGS1PGRNR3C1NR3C2
SCHEMBL27589152 0.79 PTGS2 (0.56) PTGS2PTGS1PGRNR3C1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197833-A1 Silicon Containing Compounds Having Selective Cox-2 Inhibitory Activity and Methods of Making and Using the Same ENGLEBIENNE & ASSOCIATES (BE) 2009-08-06 US disclosed
US-20090192211-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION CHEN YING-NAN PAN 2009-07-30 US disclosed
US-20080227845-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION CHEN YING-NAN PAN 2008-09-18 US disclosed
US-7402603-B2 Cyclooxygenase-2 inhibitor/histone deacetylase inhibitor combination NOVARTIS AG (CH) 2008-07-22 US disclosed
US-7345088-B2 Pharmaceutical composition for use for the treatment of malignancies comprising in combination a bisphosphonates, a cox-2 inhibitor and a taxol PENN STATE RESEARCH FOUNDATION (US) 2008-03-18 US 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 (3 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-20090192211-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION HDAC2, HDAC9, HDAC1 PTGS2 6/4885PTGS1 13/4885PGR 1387/4885
US-20080227845-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION HDAC2, HDAC9, HDAC1 PTGS2 6/4885PTGS1 13/4885PGR 1387/4885
US-20090197833-A1 Silicon Containing Compounds Having Selective Cox-2 Inhibitory Activity and Methods of Making and Using the Same PTGS2, PTGES2, PTGS1 PTGS2 1/4885PTGS1 3/4885PGR 1953/4885

“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.