SCHEMBL7087572

SCHEMBL7087572

NS(=O)(=O)c1ccc(-c2nc(-c3occ4ccccc34)[nH]c2-c2ccc(F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 5/20 0.60
▸ PTGS2 P35354 7/20 0.53
▸ MAPK14 Q16539 6/20 0.47
▸ MAPK11 Q15759 5/20 0.47
▸ MAPK13 O15264 4/20 0.47
▸ GCGR P47871 4/20 0.47
▸ MAPK12 P53778 4/20 0.47
▸ CSNK1D P48730 2/20 0.47
▸ CSNK1E P49674 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CSNK1A1 P48729 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CSNK1A1L Q8N752 1/20 0.47
▸ PTGS1 P23219 4/20 0.47
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 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
SCHEMBL7089267 0.93 PTGS2 (0.50) ALOX5PTGS2PTGS1CA12CA1
SCHEMBL7085496 0.90 ALOX5 (0.60) ALOX5PTGS2MAPK14MAPK11MAPK13
SCHEMBL7089367 0.90 PTGS2 (0.53) ALOX5PTGS2MAPK14MAPK11MAPK13
SCHEMBL7088734 0.82 PTGS2 (0.58) ALOX5PTGS2MAPK14MAPK11CSNK1D
SCHEMBL7085580 0.79 PTGS2 (0.57) ALOX5PTGS2MAPK14MAPK11CSNK1D
SCHEMBL7090042 0.78 ALOX5 (0.65) ALOX5PTGS2MAPK14MAPK11MAPK13
SCHEMBL7087570 0.77 ALOX5 (0.60) ALOX5PTGS2MAPK14MAPK11MAPK13
SCHEMBL7088230 0.77 ALOX5 (0.69) ALOX5PTGS2MAPK14MAPK11MAPK13
SCHEMBL4552997 0.75 ALOX5 (1.00) ALOX5MAPK14MAPK11MAPK13GCGR
SCHEMBL7087818 0.72 ALOX5 (0.65) ALOX5PTGS2MAPK14MAPK11CSNK1D

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 74/4885PTGS2 122/4885MAPK14 1523/4885

“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.

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