SCHEMBL7084451

SCHEMBL7084451

Cc1ccccc1-c1ccccc1CCc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
PTGS2 P35354 7/20 0.44
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
PTGS1 P23219 2/20 0.39
DRD1 P21728 1/20 0.38
HSD11B1 P28845 1/20 0.38
LOX P28300 1/20 0.38
RORC P51449 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7084454 0.84 PTGS2 (0.59) PTGS2CA12CA1CA2CA9
SCHEMBL7087905 0.84 PTGS2 (0.46) PTGS2CA1CA2PTGS1DRD1
SCHEMBL7085561 0.79 PTGS2 (0.56) PTGS2PTGS1HSD11B1RORC
SCHEMBL17069270 0.77 PTGS2 (0.47) PTGS2CA1CA2CA9PTGS1
SCHEMBL7089387 0.75 PTGS2 (0.48) PTGS2PTGS1RORCKMT2A
SCHEMBL7085155 0.75 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL7090583 0.73 PTGS2 (0.53) PTGS2
SCHEMBL28301092 0.73 PTGS2 (0.71) PTGS2CA12CA1CA2CA9
SCHEMBL7087907 0.71 PTGS2 (0.61) PTGS2PTGS1DRD1
SCHEMBL17071839 0.70 PTGS2 (0.47) PTGS2CA1CA2CA9PTGS1

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 FFAR1 217/4885FFAR4 142/4885PTGS2 122/4885

“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.