SCHEMBL8348992

SCHEMBL8348992

Cc1cncc(-c2nc(C(F)(F)F)cn2-c2ccccc2S(N)(=O)=O)c1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.69
PTGS1 P23219 11/20 0.53

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
SCHEMBL6149806 0.92 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL8025367 0.91 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8553900 0.88 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL8622571 0.85 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL7860659 0.85 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8350251 0.85 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8347217 0.84 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7773789 0.84 PTGS2 (0.50) PTGS2PTGS1
Sulfamide SCHEMBL4638575 0.84 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL212333 0.81 PTGS2 (1.00) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5700816-A ANTIARTHRITIC AGENTS G.D. SEARLE & CO. 1997-12-23 US claimed
US-5932598-A NOVEL SUBSTITUTED SULFONAMIDE COMPOUNDS USEFUL AS PRODRUGS; ADMINISTERING TO TREAT INFLAMMATION-ASSOCIATED PAIN DUE TO CANCER, DENTAL PAIN; CYCLOOXYGENASE-2 INHIBITORS G. D. SEARLE & CO. (US) 1999-08-03 US disclosed
US-5700816-A ANTIARTHRITIC AGENTS G.D. SEARLE & CO. 1997-12-23 US disclosed