SCHEMBL6487112

SCHEMBL6487112

O=C(O)Cc1c(-c2ccc(F)cc2)c(-c2ccccc2)c2n1CCC2

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.61
ALOX5 P09917 8/20 0.50
PTGS1 P23219 3/20 0.48
ALOX5AP P20292 1/20 0.48
PTGS2 P35354 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL9458734 0.92 PTGES (0.65) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL6475572 0.88 PTGES (0.78) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL7002805 0.88 PTGES (0.78) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL8594214 0.77 PTGES (0.74) PTGESALOX5PTGS1KMT2A
SCHEMBL6476126 0.76 ALOX5 (0.47) PTGESALOX5PTGS1PTGS2KMT2A
SCHEMBL6486123 0.76 PTGES (0.49) PTGESALOX5PTGS1PTGS2KMT2A
SCHEMBL6475809 0.76 KMT2A (0.53) PTGESALOX5PTGS1KMT2A
Bicarbonate SCHEMBL7001311 0.75 PTGES (0.52) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL6476426 0.74 PTGES (0.48) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL7005247 0.74 ALOX5 (0.46) PTGESALOX5PTGS1PTGS2KMT2A

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 PTGES 6/4885ALOX5 62/4885PTGS1 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.