SCHEMBL5738495

SCHEMBL5738495

CS(=O)(=O)c1ccc(-c2ccc3c(CO)cn(CC4CCCCC4)c3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.41
PTGS1 P23219 8/20 0.41
MTOR P42345 1/20 0.38
PDE5A O76074 1/20 0.37
GRM2 Q14416 1/20 0.37
ATR Q13535 1/20 0.37
CYP19A1 P11511 1/20 0.36

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
SCHEMBL5741097 0.88 PTGS2 (0.39) PTGS2PTGS1PDE5AGRM2CYP19A1
SCHEMBL5739073 0.87 PTGS2 (0.42) PTGS2PTGS1PDE5AGRM2
SCHEMBL5740330 0.85 CNR1 (0.39) PTGS2PTGS1MTORPDE5AGRM2
SCHEMBL5747687 0.84 PTGS2 (0.41) PTGS2PTGS1MTORPDE5AGRM2
SCHEMBL5739026 0.83 PTGS2 (0.38) PTGS2PTGS1MTORPDE5AGRM2
SCHEMBL5739765 0.79 PTGS2 (0.44) PTGS2PTGS1PDE5AGRM2CYP19A1
SCHEMBL4960172 0.67 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL4960023 0.62 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL2572447 0.61 MTOR (0.45) MTORGRM2
SCHEMBL5152024 0.61 PTGS2 (0.53) 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-20060270880-A1 7-Azaindole derivatives as cox2 inhibitors GLAXO GROUP LIMITED (GB) 2006-11-30 US disclosed
EP-1654262-B1 7-AZAINDOLE DERIVATIVES AS COX2 INHIBITORS GLAXO GROUP LTD (GB) 2006-10-25 EP 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-20060270880-A1 7-Azaindole derivatives as cox2 inhibitors PTGS2, PTGES2, PTGIS PTGS2 1/4885PTGS1 4/4885MTOR 1900/4885

“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.