SCHEMBL7085579

SCHEMBL7085579

CS(=O)(=O)c1ccc(-c2nc(-c3cc4ccccc4o3)[nH]c2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.57
PTGS1 P23219 8/20 0.57
MAPK14 Q16539 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX5 P09917 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
CSNK1E P49674 1/20 0.47
MAPK11 Q15759 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CSNK1A1L Q8N752 1/20 0.47
FAAH O00519 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL7088730 0.93 PTGS2 (0.58) PTGS2PTGS1MAPK14ALDH1A1ALOX5
SCHEMBL7085493 0.90 ALOX5 (0.60) PTGS2PTGS1MAPK14ALDH1A1ALOX5
SCHEMBL7089365 0.90 CA1 (0.58) PTGS2PTGS1MAPK14ALOX5MAPK11
SCHEMBL7089265 0.82 CA1 (0.62) PTGS2PTGS1ALOX5
SCHEMBL5597068 0.81 PTGS1 (0.75) PTGS2PTGS1MAPK14ALDH1A1ALOX5
SCHEMBL7087754 0.81 PTGS2 (0.61) PTGS2PTGS1MAPK14ALDH1A1ALOX5
SCHEMBL7087570 0.79 ALOX5 (0.60) PTGS2PTGS1MAPK14ALDH1A1ALOX5
SCHEMBL7085580 0.77 PTGS2 (0.57) PTGS2PTGS1MAPK14ALDH1A1ALOX5
SCHEMBL7088050 0.75 PTGS1 (0.66) PTGS2PTGS1MAPK14ALDH1A1ALOX5
SCHEMBL30874320 0.74 PTGS1 (0.74) PTGS2PTGS1MAPK14ALDH1A1ALOX5

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 6 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 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
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 PTGS2 122/4885PTGS1 114/4885MAPK14 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.