SCHEMBL461741

SCHEMBL461741

Cc1c(CCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.80
PTGS1 P23219 3/20 0.71

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
SCHEMBL10092132 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL463057 0.88 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL15072600 0.87 PTGS2 (0.88) PTGS2PTGS1
SCHEMBL15051382 0.86 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL3826265 0.86 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL3826160 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL470500 0.85 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL3826564 0.85 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL470504 0.85 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL470502 0.84 PTGS2 (0.65) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614050-B1 1,5-DIARYL-2-ALKYLPYRROLE-3-SUBSTITUTED NITRO ESTERS, SELECTIVE COX-2 INHIBITORS AND NITRIC OXIDE DONORS Rottapharm Biotech Srl (IT) 2016-01-20 EP disclosed
US-9162979-B2 1,5-Diary1-2-alkylpyrrole-3-substituted nitro esters, selective COX-2 inhibitors and nitric oxide donors ROTTAPHARM BIOTECH S.R.L. (IT) 2015-10-20 US disclosed
EP-2614050-A1 1,5-DIARYL-2-ALKYLPYRROLE-3-SUBSTITUTED NITRO ESTERS, SELECTIVE COX-2 INHIBITORS AND NITRIC OXIDE DONORS Rottapharm S.p.A. (IT) 2013-07-17 EP disclosed
US-20130165494-A1 1,5-Diaryl-2-alkylpyrrole-3-Substituted Nitro Esters, Selective COX-2 Inhibitors and Nitric Oxide Donors ROTTAPHARM S.P.A. (IT) 2013-06-27 US disclosed
WO-2012032479-A1 L,5-DIARYL-2-ALKVLPVRROLE-3-SUBSTITUTED NITRO ESTERS, SELECTIVE COX-2 INHIBITORS AND NITRIC OXIDE DONORS ROTTAPHARM S.P.A. (IT) 2012-03-15 WO 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-20130165494-A1 1,5-Diaryl-2-alkylpyrrole-3-Substituted Nitro Esters, Selective COX-2 Inhibitors and Nitric Oxide Donors NOS3, PTGER3, PTGES3 PTGS2 9/4885PTGS1 12/4885

“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.