SCHEMBL470431

SCHEMBL470431

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 1.00
PTGS1 P23219 2/20 0.81

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
SCHEMBL470424 0.94 PTGS2 (0.89) PTGS2PTGS1
SCHEMBL3822647 0.91 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL15072534 0.90 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL15072535 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL15072551 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL15072423 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL470445 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL15072431 0.87 PTGS2 (0.90) PTGS2PTGS1
SCHEMBL15072574 0.86 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL462393 0.86 PTGS2 (0.76) 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 6 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
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
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
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.