SCHEMBL6477175

SCHEMBL6477175

CSc1ccc(-c2cn3c(c2-c2ccc(F)cc2)CCC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 1.00
PTGS1 P23219 7/20 0.78
ALOX5 P09917 5/20 0.50
GCGR P47871 2/20 0.39
MAPK14 Q16539 2/20 0.39
THRB P10828 1/20 0.39
TGFBR1 P36897 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6476216 1.00 PTGS2 (1.00) PTGS2PTGS1ALOX5GCGRMAPK14
SCHEMBL6487510 0.88 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL6477263 0.83 PTGS2 (0.71) PTGS2PTGS1ALOX5THRB
SCHEMBL6477322 0.79 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL6290043 0.77 PTGS2 (0.62) PTGS2PTGS1ALOX5THRBTGFBR1
SCHEMBL6477173 0.74 PTGS2 (0.59) PTGS2PTGS1ALOX5THRBTGFBR1
SCHEMBL6476070 0.74 PTGS2 (0.58) PTGS2PTGS1GCGRMAPK14THRB
SCHEMBL9532243 0.73 PTGS2 (0.75) PTGS2PTGS1ALOX5KDM4EALDH1A1
SCHEMBL6291354 0.69 PTGS2 (0.68) PTGS2PTGS1ALOX5
SCHEMBL6476564 0.69 PTGS2 (0.68) PTGS2PTGS1ALOX5

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.