SCHEMBL7090583

SCHEMBL7090583

COc1cccc(-c2ccccc2CCc2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.53
MAOB P27338 2/20 0.45
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
ABCB1 P08183 3/20 0.44
ABCC1 P33527 1/20 0.44
HTR7 P34969 1/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
DGAT2 Q96PD7 1/20 0.41

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
SCHEMBL7090586 0.84 MAOB (0.62) PTGS2MAOBTMEM97
SCHEMBL7085155 0.82 PTGS2 (0.48) PTGS2
SCHEMBL7089387 0.82 PTGS2 (0.48) PTGS2MAOB
SCHEMBL6725743 0.82 PTGS2 (0.76) PTGS2ABCB1
SCHEMBL7085561 0.76 PTGS2 (0.56) PTGS2
SCHEMBL25490919 0.75 PLAU (0.58) PTGS2MAOBABCB1
SCHEMBL8652041 0.75 PTGS2 (0.62) PTGS2
SCHEMBL17295958 0.74 ABCB1 (0.52) MAOBABCB1ABCC1HTR7
SCHEMBL7084451 0.73 FFAR1 (0.44) PTGS2
SCHEMBL7090581 0.73 PTGS2 (0.53) PTGS2MAOB

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 PTGS2 122/4885MAOB 2849/4885NR1H2 273/4885

“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.