SCHEMBL7090586

SCHEMBL7090586

COc1cccc(-c2ccc(CCc3ccc(S(C)(=O)=O)cc3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.62
PLAU P00749 2/20 0.51
SLC13A5 Q86YT5 1/20 0.51
PTGS2 P35354 3/20 0.50
HCAR2 Q8TDS4 1/20 0.47
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
IDH1 O75874 1/20 0.45
HSD17B2 P37059 1/20 0.45
BMP1 P13497 1/20 0.45
FAAH O00519 1/20 0.45
NAAA Q02083 1/20 0.45

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
SCHEMBL25490919 0.91 PLAU (0.58) MAOBPLAUPTGS2FAAHNAAA
SCHEMBL7090583 0.84 PTGS2 (0.53) MAOBPTGS2TMEM97
SCHEMBL6725743 0.79 PTGS2 (0.76) PTGS2
SCHEMBL7085156 0.79 TAAR1 (0.58) PTGS2
SCHEMBL7089389 0.79 MAOB (0.58) MAOBPTGS2
SCHEMBL9308074 0.79 MAOB (0.73) MAOBSLC13A5HCAR2IDH1HSD17B2
SCHEMBL5552809 0.77 MAOB (1.00) MAOBSLC13A5HCAR2
SCHEMBL2325334 0.77 PLAU (0.57) MAOBPLAUFAAHNAAA
SCHEMBL28110469 0.77 CA9 (0.68) PLAUPTGS2
SCHEMBL2943584 0.77 PLAU (0.57) MAOBPLAUFAAHNAAA

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 1 patent. 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

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 MAOB 2849/4885PLAU 2604/4885SLC13A5 4105/4885

“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.