SCHEMBL7089544

SCHEMBL7089544

CS(=O)(=O)c1ccc(-c2nc(CSc3ccccc3)[nH]c2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.61
PTGS1 P23219 11/20 0.61
FAAH O00519 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL7087491 0.89 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL7090733 0.83 PTGS2 (0.62) PTGS2PTGS1FAAHKCNH2
SCHEMBL7089166 0.82 PTGS2 (0.61) PTGS2PTGS1FAAHKCNH2
SCHEMBL7087766 0.80 PTGS2 (0.59) PTGS2PTGS1FAAHKCNH2
SCHEMBL7084156 0.80 PTGS1 (0.74) PTGS2PTGS1
SCHEMBL3246495 0.80 PTGS2 (0.50) PTGS2PTGS1FAAHKCNH2
SCHEMBL7090068 0.76 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL5597068 0.75 PTGS1 (0.75) PTGS2PTGS1
SCHEMBL7089163 0.73 PTGS2 (0.61) PTGS2PTGS1FAAHKCNH2
SCHEMBL7085494 0.73 PTGS2 (0.61) PTGS2PTGS1FAAHKCNH2

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 5 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

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 114/4885FAAH 394/4885

“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.