SCHEMBL7090797

SCHEMBL7090797

CS(=O)(=O)c1ccc(-c2nc(SCc3ccccc3)[nH]c2-c2ccc(F)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.74
PTGS2 P35354 7/20 0.74
MAPK14 Q16539 10/20 0.71
MAPK13 O15264 6/20 0.64
MAPK12 P53778 6/20 0.64
MAPK11 Q15759 6/20 0.64
GSK3B P49841 1/20 0.58

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
SCHEMBL7085138 0.93 PTGS1 (0.78) PTGS1PTGS2MAPK14MAPK13MAPK12
SCHEMBL6581506 0.89 MAPK14 (0.72) PTGS1PTGS2MAPK14MAPK13MAPK12
SCHEMBL7087719 0.89 MAPK14 (0.71) PTGS1PTGS2MAPK14MAPK13MAPK12
SCHEMBL7084156 0.89 PTGS1 (0.74) PTGS1PTGS2MAPK14MAPK13MAPK12
SCHEMBL4463032 0.86 PTGS2 (0.63) PTGS1PTGS2MAPK14MAPK13MAPK12
SCHEMBL6581503 0.86 PTGS1 (0.60) PTGS1PTGS2MAPK14MAPK13MAPK12
SCHEMBL4464495 0.85 MAPK14 (0.70) PTGS1PTGS2MAPK14MAPK13MAPK12
SCHEMBL7085253 0.84 PTGS1 (0.66) PTGS1PTGS2MAPK14MAPK13MAPK12
SCHEMBL4467677 0.83 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL7089496 0.82 PTGS1 (0.61) PTGS1PTGS2MAPK14MAPK13MAPK12

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
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 PTGS1 114/4885PTGS2 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.