SCHEMBL13655574

SCHEMBL13655574

CCCCC#CCSc1ccccc1OC(=O)CF

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.78
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL29362269 0.86 PTGS2 (1.00) PTGS2
SCHEMBL13655586 0.86 PTGS2 (1.00) PTGS2
SCHEMBL3842943 0.86 PTGS2 (1.00) PTGS2
SCHEMBL13659592 0.81 PTGS2 (0.72) PTGS2
SCHEMBL6535135 0.73 PTGS2 (0.60) PTGS2
SCHEMBL6535146 0.72 PTGS2 (0.44) PTGS2KDM4E
SCHEMBL7998603 0.68 PTGS2 (1.00) PTGS2
SCHEMBL13659627 0.65 PTGS2 (1.00) PTGS2
SCHEMBL7163192 0.65 PTGS2 (0.61) PTGS2
SCHEMBL13659631 0.65 PTGS2 (0.48) PTGS2KDM4EMEN1RECQLKMT2A

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 1/4885KDM4E 4224/4885MEN1 2389/4885

“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.