SCHEMBL13659592

SCHEMBL13659592

CCCCCSc1ccccc1OC(=O)CF

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.72
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47

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
SCHEMBL13659627 0.84 PTGS2 (1.00) PTGS2
SCHEMBL6535129 0.83 PTGS2 (1.00) PTGS2
SCHEMBL13655574 0.81 PTGS2 (0.78) PTGS2
SCHEMBL6535146 0.77 PTGS2 (0.44) PTGS2
SCHEMBL21101966 0.76 PTGS2 (0.65) PTGS2CYSLTR2CYSLTR1
SCHEMBL5316867 0.74 PTGS2 (0.66) PTGS2CYSLTR2CYSLTR1
SCHEMBL423421 0.74 PTGS2 (0.66) PTGS2
SCHEMBL18634033 0.73 PTGS2 (0.54) PTGS2CYSLTR2CYSLTR1
SCHEMBL25738358 0.72 PTGS2 (0.55) PTGS2CYSLTR2CYSLTR1
SCHEMBL7931176 0.72 PTGS2 (0.63) PTGS2

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-20090252678-A1 COX-2-TARGETED IMAGING AGENTS VANDERBILT UNIVERSITY (US) 2009-10-08 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-20090252678-A1 COX-2-TARGETED IMAGING AGENTS PTGS2, PTGES2, PTGER2 PTGS2 1/4885CYSLTR2 8/4885CYSLTR1 25/4885

“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.