SCHEMBL6486568

SCHEMBL6486568

Cc1c(-c2ccc(F)cc2)c(-c2ccc([S+](C)[O-])cc2)n2c1CCC2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
KDM4E B2RXH2 2/20 0.36
THRB P10828 4/20 0.36
TGFBR1 P36897 4/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CNR1 P21554 2/20 0.32
MEN1 O00255 1/20 0.30
RIPK3 Q9Y572 1/20 0.30

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
SCHEMBL6291337 0.81 KMT2A (0.47) KMT2ARIPK3
SCHEMBL7009927 0.81 KMT2A (0.47) KMT2ARIPK3
SCHEMBL6487001 0.81 PTGS2 (0.60) KMT2APTGS2PTGS1THRBRIPK3
SCHEMBL6476070 0.80 PTGS2 (0.58) KMT2APTGS2PTGS1KDM4ETHRB
SCHEMBL6291378 0.78 RIPK3 (0.44) KMT2ARIPK3
SCHEMBL6477047 0.73 PTGS2 (0.43) KMT2APTGS2PTGS1KDM4ETHRB
SCHEMBL6294031 0.73 KMT2A (0.42) KMT2ARIPK3
SCHEMBL6687073 0.68 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL14467510 0.66 ACHE (0.41)
SCHEMBL444633 0.66 ACHE (0.41)

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 KMT2A 3737/4885PTGS2 2/4885PTGS1 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.