SCHEMBL6098748

SCHEMBL6098748

CCC(C)COc1c(-c2ccc(S(C)(=O)=O)cc2)cnn(-c2ccc(F)cc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.48
PTGS1 P23219 14/20 0.48

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
SCHEMBL4189202 0.91 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL4183855 0.91 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL4194191 0.91 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL4183519 0.89 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL4183522 0.89 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL4183524 0.89 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL4196724 0.89 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL4183974 0.88 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL4183980 0.88 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL4196639 0.88 PTGS2 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001895-B2 Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LABORATORIES (US) 2006-02-21 US disclosed
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2003-12-04 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-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PTGS2 3/4885PTGS1 1/4885

“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.