SCHEMBL3842574

SCHEMBL3842574

CCOC(=O)C(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(OC)cc2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.67
PTGS2 P35354 1/20 0.60

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
SCHEMBL4552437 0.87 CHRNA7 (0.61) CHRNA7PTGS2
SCHEMBL3823054 0.82 PTGS2 (0.70) PTGS2
SCHEMBL3031000 0.80 CHRNA7 (0.98) CHRNA7
SCHEMBL4092136 0.78
SCHEMBL3030312 0.78 CHRNA7 (0.68) CHRNA7
SCHEMBL3824225 0.78 PTGS2 (0.78) PTGS2
SCHEMBL15072650 0.77 PTGS2 (0.66) CHRNA7PTGS2
SCHEMBL4097193 0.77 PTGS2 (0.59) PTGS2
SCHEMBL3824188 0.76 PTGS2 (0.56) CHRNA7PTGS2
SCHEMBL3824305 0.76 PTGS2 (0.54) CHRNA7PTGS2

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-7906551-B2 3-substituted-1,5-diarly-2-alkyl-pyrroles highly selective and orally effective COX-2 inhibitors ROTTAPHARM S.P.A. (IT) 2011-03-15 US disclosed
US-20090264500-A1 3-SUBSTITUTED-1,5-DIARLY-2-ALKYL-PYRROLES HIGHLY SELECTIVE AND ORALLY EFFECTIVE COX-2 INHIBITORS ROTTAPHARM BIOTECH S.R.L. (IT) 2009-10-22 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-20090264500-A1 3-SUBSTITUTED-1,5-DIARLY-2-ALKYL-PYRROLES HIGHLY SELECTIVE AND ORALLY EFFECTIVE COX-2 INHIBITORS PTGS2, PTGS1, PTGES2 CHRNA7 4269/4885PTGS2 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.