SCHEMBL6477181

SCHEMBL6477181

NS(=O)(=O)c1ccc(-c2cn3c(c2-c2ccc(Cl)cc2)CCC3)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.77
PTGS1 P23219 9/20 0.77
ALOX5 P09917 2/20 0.60
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
CA7 P43166 4/20 0.46
CA12 O43570 4/20 0.46
CA9 Q16790 4/20 0.46
CA4 P22748 3/20 0.46
CA14 Q9ULX7 2/20 0.46
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA5B Q9Y2D0 1/20 0.46

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
SCHEMBL6486425 1.00 PTGS2 (0.77) PTGS2PTGS1ALOX5CA1CA2
SCHEMBL6291354 0.81 PTGS2 (0.68) PTGS2PTGS1ALOX5
SCHEMBL6476564 0.81 PTGS2 (0.68) PTGS2PTGS1ALOX5
SCHEMBL6476911 0.76 PTGS2 (0.51) PTGS2PTGS1CA1CA2CA7
SCHEMBL6476634 0.76 PTGS2 (0.51) PTGS2PTGS1CA1CA2CA7
SCHEMBL6484222 0.75 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL6477322 0.74 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL6476960 0.74 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL6475771 0.72 PTGS2 (0.49) PTGS2PTGS1ALOX5CA1CA2
SCHEMBL6477030 0.72 PTGS2 (0.49) PTGS2PTGS1ALOX5CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936632-B2 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof MERCKLE GMBH (DE) 2005-08-30 US disclosed
US-20040122002-A1 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof MERCKLE GMBH (DE) 2004-06-24 US disclosed
EP-1246825-B1 FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF MERCKLE GMBH (DE) 2003-12-17 EP 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-20040122002-A1 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof PTGS1, PTGS2, PTGER1 PTGS2 2/4885PTGS1 1/4885ALOX5 62/4885

“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.