SCHEMBL7085282

SCHEMBL7085282

Cc1c(F)cccc1-c1[nH]c(C(F)(F)F)nc1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.46
PTGS1 P23219 11/20 0.46
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX5 P09917 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CSNK1A1L Q8N752 1/20 0.42

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
SCHEMBL7087414 0.90 PTGS2 (0.49) PTGS2PTGS1ESR1ESR2ALDH1A1
SCHEMBL7085206 0.85 PTGS2 (0.49) PTGS2PTGS1ESR1ESR2
SCHEMBL8814347 0.83 ALOX5 (0.40) PTGS2ESR1ESR2ALOX5
SCHEMBL27627173 0.83 PTGS2 (0.49) PTGS2PTGS1ESR1ESR2ALDH1A1
SCHEMBL7084192 0.82 PTGS2 (0.50) PTGS2PTGS1ESR1ESR2
SCHEMBL7088175 0.81 PTGS2 (0.52) PTGS2PTGS1ALDH1A1ALOX5CSNK1A1
SCHEMBL7088103 0.80 PTGS1 (0.55) PTGS2PTGS1ESR1ESR2ALDH1A1
SCHEMBL7084859 0.80 PTGS2 (0.67) PTGS2PTGS1ESR1ESR2ALDH1A1
SCHEMBL213705 0.80 PTGS2 (0.70) PTGS2PTGS1ESR1ESR2ALDH1A1
SCHEMBL5698511 0.80 PTGS2 (0.70) PTGS2PTGS1ESR1ESR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2003-03-13 US claimed
EP-0772601-B1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-18 EP claimed
US-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 US claimed
EP-1211244-A2 4,5-substitued imidazolyl compounds for the treatment of inflammation G.D. Searle & Co. (US) 2002-06-05 EP claimed
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP claimed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO 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
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 PTGS2 122/4885PTGS1 114/4885ESR1 3743/4885

“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.