SCHEMBL7087903

SCHEMBL7087903

CC(c1ccc(S(C)(=O)=O)cc1)c1ccccc1-c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.46
GRIA4 P48058 6/20 0.44
PTGS1 P23219 1/20 0.42
CNR2 P34972 1/20 0.39
SCD O00767 1/20 0.38
FADS1 O60427 1/20 0.38
DRD1 P21728 1/20 0.38

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
SCHEMBL7084449 0.84 PTGS2 (0.44) PTGS2PTGS1DRD1
SCHEMBL7085154 0.80 PTGS2 (0.48) PTGS2PTGS1SCD
SCHEMBL7089386 0.74 PTGS2 (0.50) PTGS2PTGS1SCD
SCHEMBL9206986 0.74 PTGS2 (0.73) PTGS2PTGS1SCDFADS1DRD1
SCHEMBL30395150 0.73 PTGS2 (0.52) PTGS2
SCHEMBL17069339 0.73 PTGS2 (0.52) PTGS2
SCHEMBL17069275 0.73 PTGS2 (0.52) PTGS2
SCHEMBL7085559 0.72 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL7090581 0.72 PTGS2 (0.53) PTGS2
SCHEMBL9263390 0.69 GABRA1 (0.43) GRIA4PTGS1

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 122/4885GRIA4 2050/4885PTGS1 114/4885

“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.