SCHEMBL7089340

SCHEMBL7089340

NS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(Br)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.50
CA9 Q16790 6/20 0.50
PTGS2 P35354 5/20 0.50
CA12 O43570 5/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
ALOX5 P09917 1/20 0.49
PTGS1 P23219 2/20 0.46
KIF11 P52732 2/20 0.43
MAPK13 O15264 2/20 0.42
GCGR P47871 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK11 Q15759 2/20 0.42
MAPK14 Q16539 2/20 0.42
CA1 P00915 4/20 0.41
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL7085186 0.88 ALOX5 (0.62) PTGS2ESR1ESR2ALOX5PTGS1
SCHEMBL7084839 0.88 KIF11 (0.59) CA2CA9PTGS2CA12ESR1
SCHEMBL7090916 0.88 ESR1 (0.65) CA2CA9PTGS2CA12ESR1
SCHEMBL7084867 0.87 PTGS2 (0.54) PTGS2ESR1ESR2ALOX5PTGS1
SCHEMBL7088536 0.87 PTGS2 (0.51) CA2CA9PTGS2CA12ESR1
SCHEMBL7087388 0.87 PTGS2 (0.50) CA2CA9PTGS2CA12ESR1
SCHEMBL7084862 0.85 PTGS2 (0.51) CA2PTGS2ESR1ESR2ALOX5
SCHEMBL7090091 0.84 CA2 (0.50) CA2PTGS2ESR1ESR2ALOX5
SCHEMBL7089441 0.84 PTGS1 (0.50) CA2CA9PTGS2CA12ESR1
SCHEMBL7085177 0.84 PTGS2 (0.52) CA2CA9PTGS2CA12ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5620999-A ANTIARTHRITIC, ANALGESIC AND ANTIPYRATIC AGENT G.D. SEARLE & CO. 1997-04-15 US claimed
US-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2003-03-13 US disclosed
EP-0772601-B1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-18 EP disclosed
US-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 US disclosed
EP-1211244-A2 4,5-substitued imidazolyl compounds for the treatment of inflammation G.D. Searle & Co. (US) 2002-06-05 EP disclosed
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
US-5620999-A ANTIARTHRITIC, ANALGESIC AND ANTIPYRATIC AGENT G.D. SEARLE & CO. 1997-04-15 US disclosed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 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-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation AHR, HACL2, IRAK2 CA2 3267/4885CA9 2915/4885PTGS2 122/4885

“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.