SCHEMBL462994

SCHEMBL462994

Cc1c(CC(=O)OCCCCOS(C)(=O)=O)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.80

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
SCHEMBL463134 0.98 PTGS2 (0.80) PTGS2
SCHEMBL470498 0.92 PTGS2 (0.88) PTGS2
SCHEMBL10092019 0.91 PTGS2 (0.89) PTGS2
SCHEMBL15051307 0.89 PTGS2 (0.83) PTGS2
SCHEMBL15072534 0.89 PTGS2 (1.00) PTGS2
SCHEMBL462500 0.88 PTGS2 (0.83) PTGS2
SCHEMBL15072425 0.85 PTGS2 (0.83) PTGS2
SCHEMBL8504233 0.85 PTGS2 (0.78) PTGS2
SCHEMBL15051459 0.82 PTGS2 (0.81) PTGS2
SCHEMBL15072578 0.82 PTGS2 (1.00) 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 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 9/4885

“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.