SCHEMBL7091014

SCHEMBL7091014

COc1ccc(-c2c(C(=O)C(=O)c3cccc(C)c3)cccc2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.47
TP53 P04637 1/20 0.45
PTGS1 P23219 2/20 0.44
KCNK3 O14649 1/20 0.40
MC4R P32245 1/20 0.40

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
SCHEMBL7089297 0.81 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7493557 0.80 PTGS2 (0.49) PTGS2
SCHEMBL7087485 0.79 PTGS2 (0.47) PTGS2
SCHEMBL7084272 0.79 CES2 (0.50) PTGS2
SCHEMBL7083942 0.78 PTGS2 (0.46) PTGS2
SCHEMBL7085233 0.77 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7091362 0.75 PTGS2 (0.45) PTGS2
SCHEMBL8650149 0.71 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7087955 0.71 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL6725826 0.71 PTGS2 (0.77) PTGS2PTGS1

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 122/4885TP53 4386/4885PTGS1 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.