SCHEMBL6013930

SCHEMBL6013930

NS(=O)(=O)c1ccc(-n2nc(CC(F)(F)F)cc2C2=CCCCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.74
PTGS1 P23219 4/20 0.45
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA9 Q16790 5/20 0.45
PDPK1 O15530 3/20 0.44

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
SCHEMBL6352330 0.85 PTGS2 (1.00) PTGS2PTGS1CA1CA2CA9
SCHEMBL6013929 0.83 PTGS2 (0.80) PTGS2PTGS1CA1CA2CA9
SCHEMBL6013909 0.81 PTGS2 (0.93) PTGS2PTGS1CA1CA2CA9
SCHEMBL6013908 0.80 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL6013931 0.78 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL6013912 0.74 PTGS2 (0.72) PTGS2PTGS1CA1CA2CA9
SCHEMBL5201734 0.74 PTGS2 (0.66) PTGS2PTGS1CA1CA2CA9
SCHEMBL8039356 0.71 PTGS2 (0.70) PTGS2
SCHEMBL8023423 0.68 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL8641648 0.67 PTGS2 (0.69) PTGS2PTGS1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5466823-A Antiinflammatory agents; FDA Orange book listed patent for Celebrex G.D. SEARLE & CO. (US) 1995-11-14 US claimed
US-20060167075-A1 Modulators of FAAH IRONWOOD PHARMACEUTICALS, INC. 2006-07-27 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 (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-20060167075-A1 Modulators of FAAH FAAH, FAAH2, HCRTR2 PTGS2 107/4885PTGS1 73/4885CA1 570/4885

“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.