SCHEMBL7087818

SCHEMBL7087818

Cc1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.65
PTGS2 P35354 11/20 0.58
PTGS1 P23219 6/20 0.58
MAPK14 Q16539 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CSNK1A1 P48729 1/20 0.52
CSNK1D P48730 1/20 0.52
CSNK1E P49674 1/20 0.52
MAPK11 Q15759 1/20 0.52
CSNK1A1L Q8N752 1/20 0.52
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
KIT P10721 1/20 0.49
MAP2K7 O14733 1/20 0.48
MAP2K4 P45985 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL7083972 0.87 PTGS2 (0.75) ALOX5PTGS2PTGS1MAPK14SMN1; SMN2
SCHEMBL5371873 0.85 KDM4E (0.67) ALOX5PTGS2PTGS1MAPK14SMN1; SMN2
SCHEMBL7087568 0.83 ALOX5 (0.61) ALOX5PTGS2PTGS1MAPK14SMN1; SMN2
SCHEMBL7085186 0.81 ALOX5 (0.62) ALOX5PTGS2PTGS1MAPK14SMN1; SMN2
SCHEMBL7087764 0.80 ALOX5 (0.61) ALOX5PTGS2PTGS1MAPK14SMN1; SMN2
SCHEMBL4552997 0.79 ALOX5 (1.00) ALOX5PTGS1MAPK14SMN1; SMN2ALDH1A1
SCHEMBL27335373 0.78 MAPK14 (0.69) ALOX5MAPK14ALDH1A1CSNK1A1CSNK1D
SCHEMBL15676793 0.78 MAPK14 (0.50) ALOX5PTGS2PTGS1MAPK14SMN1; SMN2
SCHEMBL7088230 0.76 ALOX5 (0.69) ALOX5PTGS2PTGS1MAPK14SMN1; SMN2
SCHEMBL7090083 0.75 MAPK14 (0.65) ALOX5PTGS2PTGS1MAPK14SMN1; SMN2

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
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
US-5620999-A ANTIARTHRITIC, ANALGESIC AND ANTIPYRATIC AGENT G.D. SEARLE & CO. 1997-04-15 US 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 122/4885PTGS1 114/4885

“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.