SCHEMBL6477160

SCHEMBL6477160

CCOC(=O)c1c(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)n2c1CCC2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.50
PTGS1 P23219 3/20 0.50
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL6475789 0.88 KMT2A (0.56) KMT2AALDH1A1LMNAHTTTDP1
SCHEMBL6291391 0.86 KMT2A (0.51) KMT2AALDH1A1LMNAHTTTDP1
SCHEMBL6291300 0.86 KMT2A (0.51) KMT2AALDH1A1LMNAHTTTDP1
SCHEMBL6483652 0.85 KMT2A (0.50) PTGS2PTGS1KMT2AALDH1A1LMNA
SCHEMBL6998740 0.85 PTGS2 (0.48) PTGS2PTGS1KMT2APDE3BPDE3A
SCHEMBL6290028 0.83 KMT2A (0.47) KMT2AALDH1A1LMNAHTTTDP1
SCHEMBL6487001 0.81 PTGS2 (0.60) PTGS2PTGS1KMT2A
SCHEMBL6290050 0.78 KMT2A (0.51) KMT2AALDH1A1LMNAHTTTDP1
SCHEMBL6294493 0.78 KMT2A (0.51) KMT2AALDH1A1LMNAHTTTDP1
SCHEMBL6485382 0.77 KMT2A (0.50) PTGS2PTGS1KMT2AALDH1A1LMNA

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 2 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

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 1/4885KMT2A 3737/4885

“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.