SCHEMBL3826469

SCHEMBL3826469

COc1ccc(-n2c(-c3ccc(S(C)(=O)=O)cc3)cc(C(C(=O)O)C(C)C)c2C)cc1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.55

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
SCHEMBL3826827 0.88 PTGS2 (0.60) PTGS2
SCHEMBL15051523 0.88 PTGS2 (0.56) PTGS2
SCHEMBL4096849 0.88 PTGS2 (0.57) PTGS2
SCHEMBL4092136 0.84
SCHEMBL3830202 0.84 PTGS2 (0.60) PTGS2
SCHEMBL15051716 0.83 PTGS2 (0.60) PTGS2
SCHEMBL15050961 0.82 PTGS2 (0.61) PTGS2
SCHEMBL458211 0.81 PTGS2 (0.59) PTGS2
SCHEMBL15051711 0.81 PTGS2 (0.62) PTGS2
SCHEMBL3828552 0.81 PTGS2 (0.67) 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 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 PTGS2 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.