SCHEMBL7087570

SCHEMBL7087570

NS(=O)(=O)c1ccc(-c2nc(-c3cc4ccccc4o3)[nH]c2-c2ccc(F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.60
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA9 Q16790 2/20 0.58
PTGS2 P35354 7/20 0.47
MAPK11 Q15759 4/20 0.47
MAPK14 Q16539 4/20 0.47
ALDH1A1 P00352 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
CSNK1E P49674 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CSNK1A1L Q8N752 1/20 0.47
PTGS1 P23219 4/20 0.45
MAPK13 O15264 3/20 0.44
GCGR P47871 3/20 0.44
MAPK12 P53778 3/20 0.44
CA12 O43570 1/20 0.43
MAP2K7 O14733 1/20 0.43
MAP2K4 P45985 1/20 0.43

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
SCHEMBL7089265 0.93 CA1 (0.62) ALOX5CA1CA2CA9PTGS2
SCHEMBL7085493 0.90 ALOX5 (0.60) ALOX5PTGS2MAPK11MAPK14ALDH1A1
SCHEMBL7089365 0.90 CA1 (0.58) ALOX5CA1CA2CA9PTGS2
SCHEMBL7088730 0.82 PTGS2 (0.58) ALOX5CA1CA2CA9PTGS2
SCHEMBL7090042 0.81 ALOX5 (0.65) ALOX5CA1CA2CA9PTGS2
SCHEMBL7085579 0.79 PTGS2 (0.57) ALOX5PTGS2MAPK11MAPK14ALDH1A1
SCHEMBL7087572 0.77 ALOX5 (0.60) ALOX5CA1CA2CA9PTGS2
SCHEMBL4552997 0.75 ALOX5 (1.00) ALOX5MAPK11MAPK14ALDH1A1CSNK1A1
SCHEMBL7088230 0.75 ALOX5 (0.69) ALOX5PTGS2MAPK11MAPK14ALDH1A1
SCHEMBL7087975 0.73 ALOX5 (0.52) ALOX5CA1CA2CA9PTGS2

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 13 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
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 ALOX5 74/4885CA1 4768/4885CA2 3267/4885

“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.