SCHEMBL6441822

SCHEMBL6441822

[CH2]Cc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)o1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.68
PTGS1 P23219 5/20 0.68

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
SCHEMBL6025799 0.87 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL7500353 0.86 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7502336 0.85 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL7511025 0.85 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL6022651 0.84 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL215744 0.84 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL7505741 0.83 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL8552548 0.83 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7506460 0.83 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7497732 0.82 PTGS2 (0.61) 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-20050085477-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of neoplasia PHARMACIA CORPORATION 2005-04-21 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-20050085477-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of neoplasia TPH2, TPH1, HTR2A PTGS2 15/4885PTGS1 23/4885

“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.